Chlorine in PDB 4o94: Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate
Protein crystallography data
The structure of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate, PDB code: 4o94
was solved by
M.W.Vetting,
N.F.Al Obaidi,
L.L.Morisco,
S.R.Wasserman,
S.Sojitra,
M.Stead,
J.D.Attonito,
A.Scott Glenn,
S.Chowdhury,
B.Evans,
B.Hillerich,
J.Love,
R.D.Seidel,
H.J.Imker,
J.A.Gerlt,
S.C.Almo,
Enzyme Functioninitiative (Efi),
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
45.19 /
2.00
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
46.469,
112.845,
136.294,
90.00,
95.91,
90.00
|
R / Rfree (%)
|
16.3 /
21.4
|
Chlorine Binding Sites:
Pages:
>>> Page 1 <<<
Page 2, Binding sites: 11 -
15;
Binding sites:
The binding sites of Chlorine atom in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate
(pdb code 4o94). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 15 binding sites of Chlorine where determined in the
Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate, PDB code: 4o94:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
10;
Chlorine binding site 1 out
of 15 in 4o94
Go back to
Chlorine Binding Sites List in 4o94
Chlorine binding site 1 out
of 15 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl401
b:19.6
occ:1.00
|
HG
|
A:SER68
|
2.4
|
13.0
|
1.0
|
H
|
A:ASP73
|
2.4
|
18.2
|
1.0
|
H
|
A:SER193
|
2.7
|
20.8
|
1.0
|
HA3
|
A:GLY72
|
2.8
|
17.4
|
1.0
|
HB1
|
A:ALA191
|
2.9
|
17.3
|
1.0
|
HB3
|
A:SER193
|
3.0
|
9.8
|
1.0
|
OG
|
A:SER68
|
3.0
|
10.8
|
1.0
|
N
|
A:ASP73
|
3.2
|
15.2
|
1.0
|
OG
|
A:SER193
|
3.3
|
13.9
|
1.0
|
HG
|
A:SER193
|
3.3
|
16.6
|
1.0
|
HB3
|
A:PHE192
|
3.4
|
7.5
|
1.0
|
HG11
|
A:VAL34
|
3.4
|
8.0
|
1.0
|
O
|
A:HOH628
|
3.4
|
29.3
|
1.0
|
HA2
|
A:GLY72
|
3.4
|
17.4
|
1.0
|
O
|
A:HOH726
|
3.4
|
42.6
|
1.0
|
HG12
|
A:VAL34
|
3.4
|
8.0
|
1.0
|
H
|
A:PHE192
|
3.4
|
10.2
|
1.0
|
CA
|
A:GLY72
|
3.5
|
14.5
|
1.0
|
N
|
A:SER193
|
3.5
|
17.4
|
1.0
|
CB
|
A:SER193
|
3.6
|
8.2
|
1.0
|
HB2
|
A:ASP73
|
3.6
|
26.6
|
1.0
|
HB3
|
A:SER68
|
3.7
|
15.1
|
1.0
|
N
|
A:PHE192
|
3.8
|
8.5
|
1.0
|
CG1
|
A:VAL34
|
3.8
|
6.6
|
1.0
|
HB
|
A:VAL34
|
3.8
|
6.1
|
1.0
|
CB
|
A:ALA191
|
3.9
|
14.4
|
1.0
|
C
|
A:GLY72
|
3.9
|
16.6
|
1.0
|
CB
|
A:SER68
|
3.9
|
12.6
|
1.0
|
CG
|
A:ASP73
|
4.0
|
24.7
|
1.0
|
OD2
|
A:ASP73
|
4.1
|
21.3
|
1.0
|
HB3
|
A:ALA191
|
4.1
|
17.3
|
1.0
|
CB
|
A:ASP73
|
4.1
|
22.2
|
1.0
|
CA
|
A:SER193
|
4.1
|
13.4
|
1.0
|
CB
|
A:PHE192
|
4.2
|
6.2
|
1.0
|
C
|
A:ALA191
|
4.3
|
10.9
|
1.0
|
CA
|
A:ASP73
|
4.3
|
22.6
|
1.0
|
HB2
|
A:SER68
|
4.3
|
15.1
|
1.0
|
CA
|
A:PHE192
|
4.4
|
8.5
|
1.0
|
CB
|
A:VAL34
|
4.4
|
5.1
|
1.0
|
OD1
|
A:ASP73
|
4.4
|
21.9
|
1.0
|
C
|
A:PHE192
|
4.4
|
14.3
|
1.0
|
HB2
|
A:SER193
|
4.4
|
9.8
|
1.0
|
HB2
|
A:ALA191
|
4.4
|
17.3
|
1.0
|
HB2
|
A:PHE192
|
4.5
|
7.5
|
1.0
|
CA
|
A:ALA191
|
4.5
|
11.0
|
1.0
|
O
|
A:HOH532
|
4.6
|
16.0
|
1.0
|
HA
|
A:ALA191
|
4.6
|
13.2
|
1.0
|
HG13
|
A:VAL34
|
4.7
|
8.0
|
1.0
|
HA
|
A:SER193
|
4.7
|
16.1
|
1.0
|
H
|
A:ALA74
|
4.7
|
13.7
|
1.0
|
N
|
A:GLY72
|
4.7
|
17.4
|
1.0
|
HA
|
A:ASP73
|
4.8
|
27.1
|
1.0
|
HD2
|
A:PHE192
|
4.8
|
13.0
|
1.0
|
O
|
A:HOH680
|
4.9
|
33.1
|
1.0
|
O
|
A:ALA191
|
5.0
|
15.1
|
1.0
|
|
Chlorine binding site 2 out
of 15 in 4o94
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Chlorine Binding Sites List in 4o94
Chlorine binding site 2 out
of 15 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl402
b:21.6
occ:1.00
|
H
|
A:TYR143
|
2.5
|
20.1
|
1.0
|
HE22
|
A:GLN127
|
2.6
|
17.7
|
1.0
|
HA
|
A:ALA142
|
2.9
|
15.5
|
1.0
|
O
|
A:HOH656
|
3.0
|
38.6
|
1.0
|
HD2
|
A:TYR143
|
3.0
|
9.0
|
1.0
|
O
|
A:HOH555
|
3.1
|
20.4
|
1.0
|
N
|
A:TYR143
|
3.4
|
16.7
|
1.0
|
NE2
|
A:GLN127
|
3.4
|
14.7
|
1.0
|
HB2
|
A:TYR143
|
3.5
|
17.1
|
1.0
|
HD11
|
A:LEU130
|
3.6
|
14.0
|
1.0
|
HB1
|
A:ALA142
|
3.7
|
21.4
|
1.0
|
CA
|
A:ALA142
|
3.7
|
12.9
|
1.0
|
HE21
|
A:GLN127
|
3.8
|
17.7
|
1.0
|
CD2
|
A:TYR143
|
3.9
|
7.5
|
1.0
|
C
|
A:ALA142
|
4.1
|
16.6
|
1.0
|
CB
|
A:ALA142
|
4.2
|
17.8
|
1.0
|
O
|
A:HOH705
|
4.2
|
32.9
|
1.0
|
CB
|
A:TYR143
|
4.3
|
14.2
|
1.0
|
HB2
|
A:ALA142
|
4.4
|
21.4
|
1.0
|
CA
|
A:TYR143
|
4.4
|
15.0
|
1.0
|
CD
|
A:GLN127
|
4.4
|
23.2
|
1.0
|
CD1
|
A:LEU130
|
4.5
|
11.7
|
1.0
|
HG21
|
A:THR264
|
4.5
|
16.4
|
1.0
|
OE1
|
A:GLN127
|
4.5
|
22.0
|
1.0
|
O
|
A:TYR143
|
4.5
|
15.7
|
1.0
|
CG
|
A:TYR143
|
4.6
|
6.9
|
1.0
|
O
|
A:HOH616
|
4.6
|
30.0
|
1.0
|
HD13
|
A:LEU130
|
4.7
|
14.0
|
1.0
|
HD21
|
A:LEU130
|
4.7
|
7.5
|
1.0
|
O
|
A:HOH527
|
4.7
|
14.7
|
1.0
|
HE2
|
A:TYR143
|
4.8
|
16.0
|
1.0
|
HD12
|
A:LEU130
|
4.9
|
14.0
|
1.0
|
CE2
|
A:TYR143
|
4.9
|
13.4
|
1.0
|
O
|
A:HOH536
|
4.9
|
13.5
|
1.0
|
N
|
A:ALA142
|
4.9
|
8.1
|
1.0
|
O
|
A:LEU141
|
4.9
|
17.8
|
1.0
|
C
|
A:TYR143
|
5.0
|
15.4
|
1.0
|
|
Chlorine binding site 3 out
of 15 in 4o94
Go back to
Chlorine Binding Sites List in 4o94
Chlorine binding site 3 out
of 15 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 3 of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl401
b:19.5
occ:1.00
|
H
|
C:VAL64
|
2.3
|
13.1
|
1.0
|
HZ3
|
B:LYS61
|
2.4
|
37.4
|
1.0
|
HZ1
|
B:LYS49
|
2.5
|
17.8
|
1.0
|
HE2
|
C:LYS49
|
2.8
|
20.6
|
1.0
|
HE3
|
B:LYS61
|
2.9
|
39.4
|
1.0
|
HA
|
C:GLU63
|
3.0
|
19.8
|
1.0
|
HZ3
|
C:LYS49
|
3.0
|
16.2
|
1.0
|
HD2
|
C:LYS49
|
3.1
|
16.5
|
1.0
|
NZ
|
B:LYS61
|
3.1
|
31.2
|
1.0
|
N
|
C:VAL64
|
3.2
|
10.9
|
1.0
|
O
|
B:HOH545
|
3.2
|
27.4
|
1.0
|
CE
|
B:LYS61
|
3.3
|
32.8
|
1.0
|
O
|
B:HOH602
|
3.3
|
28.6
|
1.0
|
NZ
|
B:LYS49
|
3.3
|
14.8
|
1.0
|
HE2
|
B:LYS61
|
3.4
|
39.4
|
1.0
|
CE
|
C:LYS49
|
3.4
|
17.1
|
1.0
|
HZ1
|
B:LYS61
|
3.4
|
37.4
|
1.0
|
O
|
B:HOH747
|
3.5
|
32.3
|
1.0
|
HB
|
C:VAL64
|
3.5
|
12.0
|
1.0
|
NZ
|
C:LYS49
|
3.6
|
13.5
|
1.0
|
HZ3
|
B:LYS49
|
3.6
|
17.8
|
1.0
|
CD
|
C:LYS49
|
3.7
|
13.7
|
1.0
|
HE2
|
B:LYS49
|
3.7
|
25.1
|
1.0
|
HZ2
|
B:LYS61
|
3.8
|
37.4
|
1.0
|
CA
|
C:GLU63
|
3.8
|
16.5
|
1.0
|
HZ1
|
C:LYS49
|
3.9
|
16.2
|
1.0
|
HZ2
|
B:LYS49
|
3.9
|
17.8
|
1.0
|
O
|
C:VAL64
|
3.9
|
13.3
|
1.0
|
HG23
|
C:VAL64
|
4.0
|
11.0
|
1.0
|
CE
|
B:LYS49
|
4.0
|
20.9
|
1.0
|
C
|
C:GLU63
|
4.0
|
12.3
|
1.0
|
O
|
C:VAL62
|
4.0
|
19.6
|
1.0
|
HE3
|
B:LYS49
|
4.0
|
25.1
|
1.0
|
HD3
|
C:LYS49
|
4.0
|
16.5
|
1.0
|
CA
|
C:VAL64
|
4.1
|
10.3
|
1.0
|
CB
|
C:VAL64
|
4.1
|
10.0
|
1.0
|
HE3
|
C:LYS49
|
4.3
|
20.6
|
1.0
|
HZ2
|
C:LYS49
|
4.4
|
16.2
|
1.0
|
O
|
C:HOH662
|
4.4
|
40.9
|
1.0
|
C
|
C:VAL64
|
4.4
|
10.0
|
1.0
|
HB3
|
C:GLU63
|
4.4
|
20.4
|
1.0
|
CG2
|
C:VAL64
|
4.5
|
9.2
|
1.0
|
HG2
|
C:GLU63
|
4.6
|
26.4
|
1.0
|
CB
|
C:GLU63
|
4.7
|
17.0
|
1.0
|
CD
|
B:LYS61
|
4.7
|
34.1
|
1.0
|
CL
|
C:CL403
|
4.7
|
22.5
|
1.0
|
N
|
C:GLU63
|
4.8
|
11.6
|
1.0
|
C
|
C:VAL62
|
4.8
|
15.3
|
1.0
|
HD2
|
B:LYS61
|
4.9
|
41.0
|
1.0
|
HG21
|
C:VAL64
|
4.9
|
11.0
|
1.0
|
HA
|
C:VAL64
|
4.9
|
12.3
|
1.0
|
O
|
B:HOH706
|
5.0
|
31.9
|
1.0
|
HG3
|
C:LYS49
|
5.0
|
22.9
|
1.0
|
|
Chlorine binding site 4 out
of 15 in 4o94
Go back to
Chlorine Binding Sites List in 4o94
Chlorine binding site 4 out
of 15 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 4 of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl402
b:19.4
occ:1.00
|
H
|
B:MSE148
|
2.5
|
11.6
|
1.0
|
O
|
B:HOH685
|
2.6
|
40.9
|
1.0
|
O
|
B:HOH524
|
3.1
|
12.5
|
1.0
|
HA3
|
B:GLY147
|
3.2
|
14.8
|
1.0
|
HG2
|
B:MSE148
|
3.3
|
15.2
|
1.0
|
HB3
|
B:ASN275
|
3.3
|
20.4
|
1.0
|
N
|
B:MSE148
|
3.3
|
9.6
|
1.0
|
O
|
B:HOH622
|
3.4
|
29.9
|
1.0
|
O
|
B:HOH549
|
3.6
|
26.4
|
1.0
|
HB2
|
B:MSE148
|
3.6
|
13.2
|
1.0
|
HD1
|
B:TRP211
|
3.7
|
17.4
|
1.0
|
HB2
|
B:ASN275
|
3.7
|
20.4
|
1.0
|
CA
|
B:GLY147
|
3.9
|
12.4
|
1.0
|
CB
|
B:ASN275
|
3.9
|
17.0
|
1.0
|
HA2
|
B:GLY147
|
3.9
|
14.8
|
1.0
|
CG
|
B:MSE148
|
4.1
|
12.7
|
1.0
|
C
|
B:GLY147
|
4.1
|
11.4
|
1.0
|
CG
|
B:ASN275
|
4.1
|
13.3
|
1.0
|
CB
|
B:MSE148
|
4.1
|
11.0
|
1.0
|
HE21
|
B:GLN150
|
4.3
|
21.8
|
1.0
|
CA
|
B:MSE148
|
4.3
|
9.8
|
1.0
|
CD1
|
B:TRP211
|
4.4
|
14.5
|
1.0
|
HG3
|
B:MSE148
|
4.4
|
15.2
|
1.0
|
O
|
B:MSE148
|
4.4
|
13.1
|
1.0
|
ND2
|
B:ASN275
|
4.4
|
15.1
|
1.0
|
HD21
|
B:ASN275
|
4.4
|
18.1
|
1.0
|
HE1
|
B:TRP211
|
4.5
|
21.1
|
1.0
|
OD1
|
B:ASN275
|
4.6
|
17.6
|
1.0
|
O
|
B:HOH691
|
4.6
|
28.4
|
1.0
|
HE22
|
B:GLN150
|
4.7
|
21.8
|
1.0
|
NE1
|
B:TRP211
|
4.8
|
17.6
|
1.0
|
NE2
|
B:GLN150
|
4.8
|
18.1
|
1.0
|
C
|
B:MSE148
|
4.8
|
15.2
|
1.0
|
O
|
B:HOH686
|
4.9
|
30.4
|
1.0
|
O
|
B:HOH653
|
4.9
|
39.0
|
1.0
|
HD22
|
B:ASN275
|
4.9
|
18.1
|
1.0
|
HB
|
B:THR210
|
5.0
|
9.9
|
1.0
|
HA2
|
B:GLY272
|
5.0
|
18.1
|
1.0
|
|
Chlorine binding site 5 out
of 15 in 4o94
Go back to
Chlorine Binding Sites List in 4o94
Chlorine binding site 5 out
of 15 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 5 of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl403
b:18.4
occ:1.00
|
H
|
B:ASN154
|
2.5
|
6.1
|
1.0
|
HE
|
B:ARG155
|
2.6
|
47.2
|
1.0
|
HH21
|
B:ARG155
|
2.7
|
41.7
|
1.0
|
HB2
|
B:ASN154
|
2.9
|
13.9
|
1.0
|
HB1
|
B:ALA153
|
3.0
|
21.7
|
1.0
|
O
|
B:HOH680
|
3.1
|
32.1
|
1.0
|
N
|
B:ASN154
|
3.2
|
5.1
|
1.0
|
HB3
|
B:ASP205
|
3.3
|
16.8
|
1.0
|
O
|
B:HOH519
|
3.3
|
15.7
|
1.0
|
NE
|
B:ARG155
|
3.4
|
39.4
|
1.0
|
NH2
|
B:ARG155
|
3.5
|
34.8
|
1.0
|
H
|
B:ARG155
|
3.5
|
21.5
|
1.0
|
HD13
|
B:LEU166
|
3.6
|
26.4
|
1.0
|
CB
|
B:ASN154
|
3.6
|
11.6
|
1.0
|
CA
|
B:ASN154
|
3.6
|
10.8
|
1.0
|
HG2
|
B:ARG155
|
3.7
|
27.3
|
1.0
|
C
|
B:ASN154
|
3.7
|
18.8
|
1.0
|
N
|
B:ARG155
|
3.7
|
17.9
|
1.0
|
HD22
|
B:LEU166
|
3.8
|
31.6
|
1.0
|
HB3
|
B:ARG155
|
3.8
|
23.1
|
1.0
|
CZ
|
B:ARG155
|
3.9
|
36.6
|
1.0
|
CB
|
B:ALA153
|
3.9
|
18.1
|
1.0
|
HB3
|
B:ASN154
|
4.0
|
13.9
|
1.0
|
HD11
|
B:LEU166
|
4.0
|
26.4
|
1.0
|
O
|
B:ASP205
|
4.2
|
7.0
|
1.0
|
HB3
|
B:ALA153
|
4.2
|
21.7
|
1.0
|
HD21
|
B:LEU166
|
4.2
|
31.6
|
1.0
|
HH22
|
B:ARG155
|
4.2
|
41.7
|
1.0
|
CB
|
B:ASP205
|
4.2
|
14.0
|
1.0
|
CD1
|
B:LEU166
|
4.2
|
22.0
|
1.0
|
CG
|
B:ARG155
|
4.3
|
22.7
|
1.0
|
C
|
B:ALA153
|
4.3
|
8.8
|
1.0
|
O
|
B:ASN154
|
4.4
|
14.4
|
1.0
|
CD2
|
B:LEU166
|
4.4
|
26.3
|
1.0
|
CB
|
B:ARG155
|
4.4
|
19.3
|
1.0
|
CD
|
B:ARG155
|
4.5
|
29.4
|
1.0
|
HD21
|
B:ASN154
|
4.5
|
15.2
|
1.0
|
HB2
|
B:ALA153
|
4.5
|
21.7
|
1.0
|
HA
|
B:ASN154
|
4.6
|
12.9
|
1.0
|
CA
|
B:ALA153
|
4.6
|
4.5
|
1.0
|
HA
|
B:ASP205
|
4.7
|
11.9
|
1.0
|
HA
|
B:ALA153
|
4.7
|
5.4
|
1.0
|
CA
|
B:ARG155
|
4.7
|
18.3
|
1.0
|
HB2
|
B:ASP205
|
4.8
|
16.8
|
1.0
|
C
|
B:ASP205
|
4.8
|
9.1
|
1.0
|
HD2
|
B:ARG155
|
4.8
|
35.3
|
1.0
|
CG
|
B:ASN154
|
4.8
|
15.3
|
1.0
|
CA
|
B:ASP205
|
4.8
|
9.9
|
1.0
|
CG
|
B:ASP205
|
4.9
|
19.6
|
1.0
|
CG
|
B:LEU166
|
5.0
|
21.8
|
1.0
|
OD1
|
B:ASP205
|
5.0
|
16.7
|
1.0
|
|
Chlorine binding site 6 out
of 15 in 4o94
Go back to
Chlorine Binding Sites List in 4o94
Chlorine binding site 6 out
of 15 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 6 of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl404
b:18.2
occ:1.00
|
HG
|
B:SER68
|
2.4
|
16.1
|
1.0
|
H
|
B:ASP73
|
2.5
|
17.3
|
1.0
|
H
|
B:SER193
|
2.6
|
9.0
|
1.0
|
O
|
B:HOH708
|
2.7
|
47.1
|
1.0
|
HA3
|
B:GLY72
|
2.8
|
21.3
|
1.0
|
HB1
|
B:ALA191
|
2.9
|
19.0
|
1.0
|
OG
|
B:SER68
|
3.0
|
13.4
|
1.0
|
HB3
|
B:SER193
|
3.2
|
14.0
|
1.0
|
N
|
B:ASP73
|
3.3
|
14.4
|
1.0
|
O
|
B:HOH591
|
3.3
|
23.3
|
1.0
|
OG
|
B:SER193
|
3.4
|
15.7
|
1.0
|
HA2
|
B:GLY72
|
3.4
|
21.3
|
1.0
|
H
|
B:PHE192
|
3.4
|
20.1
|
1.0
|
N
|
B:SER193
|
3.4
|
7.5
|
1.0
|
CA
|
B:GLY72
|
3.5
|
17.8
|
1.0
|
HG
|
B:SER193
|
3.5
|
18.9
|
1.0
|
HB3
|
B:PHE192
|
3.5
|
10.7
|
1.0
|
HG12
|
B:VAL34
|
3.6
|
18.6
|
1.0
|
HG11
|
B:VAL34
|
3.6
|
18.6
|
1.0
|
HB3
|
B:SER68
|
3.6
|
12.4
|
1.0
|
CB
|
B:SER193
|
3.7
|
11.7
|
1.0
|
HB2
|
B:ASP73
|
3.8
|
16.4
|
1.0
|
N
|
B:PHE192
|
3.8
|
16.8
|
1.0
|
CB
|
B:ALA191
|
3.8
|
15.8
|
1.0
|
HB
|
B:VAL34
|
3.9
|
10.7
|
1.0
|
CB
|
B:SER68
|
3.9
|
10.3
|
1.0
|
C
|
B:GLY72
|
3.9
|
18.6
|
1.0
|
CG1
|
B:VAL34
|
4.0
|
15.5
|
1.0
|
CG
|
B:ASP73
|
4.0
|
18.4
|
1.0
|
CA
|
B:SER193
|
4.2
|
13.2
|
1.0
|
HB3
|
B:ALA191
|
4.2
|
19.0
|
1.0
|
CB
|
B:ASP73
|
4.2
|
13.7
|
1.0
|
OD2
|
B:ASP73
|
4.2
|
17.5
|
1.0
|
HB2
|
B:SER68
|
4.3
|
12.4
|
1.0
|
C
|
B:ALA191
|
4.3
|
11.9
|
1.0
|
CB
|
B:PHE192
|
4.3
|
8.9
|
1.0
|
CA
|
B:ASP73
|
4.3
|
16.2
|
1.0
|
HB2
|
B:ALA191
|
4.3
|
19.0
|
1.0
|
CA
|
B:PHE192
|
4.4
|
13.9
|
1.0
|
OD1
|
B:ASP73
|
4.4
|
17.8
|
1.0
|
C
|
B:PHE192
|
4.4
|
10.6
|
1.0
|
HA
|
B:ALA191
|
4.5
|
19.8
|
1.0
|
CB
|
B:VAL34
|
4.5
|
8.9
|
1.0
|
CA
|
B:ALA191
|
4.5
|
16.5
|
1.0
|
O
|
B:HOH528
|
4.6
|
12.3
|
1.0
|
HB2
|
B:SER193
|
4.6
|
14.0
|
1.0
|
HB2
|
B:PHE192
|
4.7
|
10.7
|
1.0
|
H
|
B:ALA74
|
4.7
|
17.2
|
1.0
|
N
|
B:GLY72
|
4.7
|
18.7
|
1.0
|
HA
|
B:SER193
|
4.8
|
15.8
|
1.0
|
HG13
|
B:VAL34
|
4.9
|
18.6
|
1.0
|
HA
|
B:ASP73
|
4.9
|
19.4
|
1.0
|
HD2
|
B:PHE192
|
5.0
|
9.6
|
1.0
|
|
Chlorine binding site 7 out
of 15 in 4o94
Go back to
Chlorine Binding Sites List in 4o94
Chlorine binding site 7 out
of 15 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 7 of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl405
b:25.5
occ:1.00
|
HD1
|
B:HIS291
|
2.3
|
25.2
|
1.0
|
HB2
|
D:LYS306
|
2.6
|
19.0
|
1.0
|
HA
|
D:GLU303
|
2.7
|
25.8
|
1.0
|
H
|
B:GLN292
|
2.7
|
19.9
|
1.0
|
HA
|
B:HIS291
|
2.9
|
18.2
|
1.0
|
HD3
|
D:PRO307
|
3.0
|
16.7
|
1.0
|
O
|
B:HOH569
|
3.0
|
18.6
|
1.0
|
ND1
|
B:HIS291
|
3.1
|
21.0
|
1.0
|
HB3
|
B:HIS291
|
3.2
|
16.4
|
1.0
|
HB3
|
D:LYS306
|
3.4
|
19.0
|
1.0
|
CB
|
D:LYS306
|
3.4
|
15.9
|
1.0
|
N
|
B:GLN292
|
3.6
|
16.6
|
1.0
|
CA
|
B:HIS291
|
3.6
|
15.2
|
1.0
|
CA
|
D:GLU303
|
3.7
|
21.5
|
1.0
|
HG2
|
D:GLU303
|
3.7
|
35.6
|
1.0
|
CB
|
B:HIS291
|
3.7
|
13.6
|
1.0
|
HG3
|
D:PRO307
|
3.7
|
23.3
|
1.0
|
HD2
|
D:LYS306
|
3.8
|
23.4
|
1.0
|
O
|
D:VAL302
|
3.8
|
15.0
|
1.0
|
CD
|
D:PRO307
|
3.8
|
13.9
|
1.0
|
HB2
|
B:GLN292
|
3.8
|
32.9
|
1.0
|
CG
|
B:HIS291
|
3.8
|
14.2
|
1.0
|
HD23
|
B:LEU158
|
3.9
|
41.4
|
1.0
|
HG12
|
D:VAL302
|
4.0
|
24.6
|
1.0
|
C
|
B:HIS291
|
4.1
|
16.3
|
1.0
|
O
|
D:GLU303
|
4.1
|
17.3
|
1.0
|
C
|
D:GLU303
|
4.2
|
17.7
|
1.0
|
H
|
D:LYS306
|
4.2
|
13.8
|
1.0
|
CE1
|
B:HIS291
|
4.2
|
20.5
|
1.0
|
CG
|
D:PRO307
|
4.3
|
19.4
|
1.0
|
N
|
D:PRO307
|
4.3
|
11.5
|
1.0
|
HG3
|
D:GLU303
|
4.3
|
35.6
|
1.0
|
O
|
B:GLN292
|
4.3
|
25.1
|
1.0
|
CG
|
D:GLU303
|
4.3
|
29.6
|
1.0
|
CA
|
D:LYS306
|
4.3
|
11.3
|
1.0
|
HD13
|
B:LEU158
|
4.4
|
48.1
|
1.0
|
CG
|
D:LYS306
|
4.4
|
20.3
|
1.0
|
C
|
D:VAL302
|
4.4
|
16.9
|
1.0
|
N
|
D:GLU303
|
4.4
|
20.4
|
1.0
|
C
|
D:LYS306
|
4.4
|
10.5
|
1.0
|
CB
|
D:GLU303
|
4.4
|
22.6
|
1.0
|
HE1
|
B:HIS291
|
4.5
|
24.6
|
1.0
|
CD
|
D:LYS306
|
4.5
|
19.5
|
1.0
|
HB3
|
D:GLU303
|
4.5
|
27.1
|
1.0
|
HG3
|
D:LYS306
|
4.5
|
24.4
|
1.0
|
HD2
|
D:PRO307
|
4.6
|
16.7
|
1.0
|
CA
|
B:GLN292
|
4.6
|
22.6
|
1.0
|
CB
|
B:GLN292
|
4.6
|
27.4
|
1.0
|
HB2
|
B:HIS291
|
4.6
|
16.4
|
1.0
|
N
|
D:LYS306
|
4.6
|
11.5
|
1.0
|
HG2
|
B:GLN292
|
4.7
|
37.8
|
1.0
|
O
|
B:ILE290
|
4.7
|
14.2
|
1.0
|
HG2
|
D:PRO307
|
4.8
|
23.3
|
1.0
|
N
|
B:HIS291
|
4.8
|
10.6
|
1.0
|
CD2
|
B:LEU158
|
4.8
|
34.5
|
1.0
|
HA
|
D:PRO307
|
4.9
|
16.2
|
1.0
|
HD3
|
D:LYS306
|
4.9
|
23.4
|
1.0
|
C
|
B:GLN292
|
4.9
|
22.7
|
1.0
|
CG1
|
D:VAL302
|
5.0
|
20.4
|
1.0
|
|
Chlorine binding site 8 out
of 15 in 4o94
Go back to
Chlorine Binding Sites List in 4o94
Chlorine binding site 8 out
of 15 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 8 of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl401
b:21.5
occ:1.00
|
H
|
C:MSE148
|
2.5
|
14.8
|
1.0
|
O
|
C:HOH502
|
3.1
|
10.3
|
1.0
|
HA3
|
C:GLY147
|
3.1
|
16.4
|
1.0
|
O
|
C:HOH618
|
3.2
|
30.1
|
1.0
|
HB3
|
C:ASN275
|
3.3
|
12.8
|
1.0
|
N
|
C:MSE148
|
3.3
|
12.3
|
1.0
|
HG2
|
C:MSE148
|
3.4
|
17.9
|
1.0
|
O
|
C:HOH701
|
3.5
|
31.9
|
1.0
|
HB2
|
C:MSE148
|
3.6
|
11.8
|
1.0
|
HD1
|
C:TRP211
|
3.6
|
14.3
|
1.0
|
O
|
C:HOH722
|
3.7
|
40.5
|
1.0
|
HB2
|
C:ASN275
|
3.7
|
12.8
|
1.0
|
CA
|
C:GLY147
|
3.8
|
13.7
|
1.0
|
CB
|
C:ASN275
|
3.8
|
10.6
|
1.0
|
HA2
|
C:GLY147
|
3.9
|
16.4
|
1.0
|
O
|
C:HOH636
|
3.9
|
38.2
|
1.0
|
C
|
C:GLY147
|
4.1
|
13.5
|
1.0
|
CG
|
C:ASN275
|
4.1
|
8.7
|
1.0
|
CB
|
C:MSE148
|
4.1
|
9.8
|
1.0
|
CG
|
C:MSE148
|
4.2
|
14.9
|
1.0
|
CA
|
C:MSE148
|
4.2
|
13.6
|
1.0
|
HE21
|
C:GLN150
|
4.3
|
15.9
|
1.0
|
O
|
C:MSE148
|
4.3
|
9.7
|
1.0
|
CD1
|
C:TRP211
|
4.4
|
11.9
|
1.0
|
ND2
|
C:ASN275
|
4.5
|
5.7
|
1.0
|
HD21
|
C:ASN275
|
4.5
|
6.9
|
1.0
|
O
|
C:HOH748
|
4.6
|
30.6
|
1.0
|
HG3
|
C:MSE148
|
4.6
|
17.9
|
1.0
|
OD1
|
C:ASN275
|
4.6
|
10.3
|
1.0
|
O
|
C:HOH693
|
4.7
|
38.0
|
1.0
|
HE22
|
C:GLN150
|
4.7
|
15.9
|
1.0
|
HE1
|
C:TRP211
|
4.7
|
13.2
|
1.0
|
C
|
C:MSE148
|
4.8
|
12.0
|
1.0
|
HB
|
C:THR210
|
4.8
|
10.0
|
1.0
|
NE2
|
C:GLN150
|
4.9
|
13.3
|
1.0
|
H
|
C:TRP211
|
4.9
|
15.5
|
1.0
|
HA2
|
C:GLY272
|
4.9
|
24.9
|
1.0
|
HD22
|
C:ASN275
|
4.9
|
6.9
|
1.0
|
NE1
|
C:TRP211
|
5.0
|
11.0
|
1.0
|
|
Chlorine binding site 9 out
of 15 in 4o94
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Chlorine Binding Sites List in 4o94
Chlorine binding site 9 out
of 15 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 9 of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl402
b:27.2
occ:1.00
|
H
|
C:LEU70
|
2.2
|
16.5
|
1.0
|
H
|
C:PHE71
|
2.5
|
15.4
|
1.0
|
HB2
|
C:SER32
|
2.5
|
12.4
|
1.0
|
HA
|
C:SER68
|
2.7
|
13.0
|
1.0
|
O
|
C:TYR65
|
2.8
|
9.3
|
1.0
|
O
|
C:PHE71
|
2.9
|
11.0
|
1.0
|
H
|
C:HIS33
|
3.0
|
8.0
|
1.0
|
N
|
C:LEU70
|
3.1
|
13.8
|
1.0
|
HB3
|
C:LEU70
|
3.1
|
6.8
|
1.0
|
HB3
|
C:TYR65
|
3.1
|
12.7
|
1.0
|
H
|
C:GLN69
|
3.2
|
12.5
|
1.0
|
N
|
C:PHE71
|
3.2
|
12.9
|
1.0
|
O
|
C:HIS33
|
3.2
|
5.4
|
1.0
|
N
|
C:GLN69
|
3.3
|
10.4
|
1.0
|
H
|
C:SER68
|
3.3
|
12.8
|
1.0
|
CA
|
C:SER68
|
3.4
|
10.8
|
1.0
|
CB
|
C:SER32
|
3.4
|
10.3
|
1.0
|
C
|
C:SER68
|
3.4
|
10.8
|
1.0
|
HB2
|
C:TYR65
|
3.4
|
12.7
|
1.0
|
N
|
C:HIS33
|
3.6
|
6.6
|
1.0
|
HA
|
C:SER32
|
3.6
|
9.1
|
1.0
|
N
|
C:SER68
|
3.7
|
10.6
|
1.0
|
C
|
C:TYR65
|
3.7
|
9.6
|
1.0
|
HB3
|
C:SER32
|
3.7
|
12.4
|
1.0
|
CB
|
C:TYR65
|
3.7
|
10.6
|
1.0
|
CA
|
C:LEU70
|
3.8
|
11.5
|
1.0
|
CB
|
C:LEU70
|
3.8
|
5.6
|
1.0
|
C
|
C:PHE71
|
3.8
|
15.8
|
1.0
|
C
|
C:LEU70
|
3.9
|
17.4
|
1.0
|
CA
|
C:SER32
|
4.0
|
7.6
|
1.0
|
C
|
C:GLN69
|
4.0
|
13.6
|
1.0
|
HB2
|
C:LEU70
|
4.1
|
6.8
|
1.0
|
CA
|
C:PHE71
|
4.1
|
14.2
|
1.0
|
HB2
|
C:GLN69
|
4.1
|
18.9
|
1.0
|
C
|
C:HIS33
|
4.1
|
10.6
|
1.0
|
O
|
C:SER68
|
4.1
|
8.8
|
1.0
|
O
|
C:PRO66
|
4.1
|
11.5
|
1.0
|
CA
|
C:GLN69
|
4.2
|
12.2
|
1.0
|
O
|
C:HOH538
|
4.2
|
14.3
|
1.0
|
C
|
C:SER32
|
4.2
|
7.8
|
1.0
|
CA
|
C:TYR65
|
4.4
|
10.1
|
1.0
|
OG
|
C:SER32
|
4.4
|
18.8
|
1.0
|
HG
|
C:SER32
|
4.5
|
22.6
|
1.0
|
HB2
|
C:PHE71
|
4.5
|
16.6
|
1.0
|
CA
|
C:HIS33
|
4.5
|
10.0
|
1.0
|
C
|
C:PRO66
|
4.5
|
10.8
|
1.0
|
N
|
C:PRO66
|
4.6
|
5.6
|
1.0
|
HA
|
C:PRO66
|
4.7
|
8.1
|
1.0
|
HA
|
C:LEU70
|
4.7
|
13.8
|
1.0
|
CB
|
C:GLN69
|
4.7
|
15.8
|
1.0
|
CB
|
C:SER68
|
4.8
|
13.1
|
1.0
|
HA
|
C:HIS33
|
4.8
|
12.0
|
1.0
|
C
|
C:ASN67
|
4.8
|
13.5
|
1.0
|
CA
|
C:PRO66
|
4.8
|
6.7
|
1.0
|
HA
|
C:PHE71
|
4.9
|
17.1
|
1.0
|
HB3
|
C:SER68
|
4.9
|
15.7
|
1.0
|
CB
|
C:PHE71
|
4.9
|
13.9
|
1.0
|
HA
|
C:VAL34
|
4.9
|
6.3
|
1.0
|
CG
|
C:TYR65
|
5.0
|
15.3
|
1.0
|
HA2
|
C:GLY72
|
5.0
|
17.2
|
1.0
|
HA
|
C:TYR65
|
5.0
|
12.1
|
1.0
|
N
|
C:GLY72
|
5.0
|
17.8
|
1.0
|
|
Chlorine binding site 10 out
of 15 in 4o94
Go back to
Chlorine Binding Sites List in 4o94
Chlorine binding site 10 out
of 15 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate
Mono view
Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 10 of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl403
b:22.5
occ:1.00
|
H
|
B:VAL64
|
2.3
|
9.3
|
1.0
|
HZ1
|
C:LYS49
|
2.4
|
16.2
|
1.0
|
HZ2
|
C:LYS61
|
2.7
|
28.5
|
1.0
|
HE3
|
C:LYS61
|
2.8
|
30.8
|
1.0
|
HZ3
|
B:LYS49
|
2.9
|
17.8
|
1.0
|
HA
|
B:GLU63
|
2.9
|
15.1
|
1.0
|
HE2
|
B:LYS49
|
3.1
|
25.1
|
1.0
|
HE2
|
C:LYS61
|
3.1
|
30.8
|
1.0
|
O
|
B:HOH747
|
3.2
|
32.3
|
1.0
|
N
|
B:VAL64
|
3.2
|
7.7
|
1.0
|
CE
|
C:LYS61
|
3.2
|
25.7
|
1.0
|
NZ
|
C:LYS49
|
3.2
|
13.5
|
1.0
|
NZ
|
C:LYS61
|
3.3
|
23.8
|
1.0
|
HD2
|
B:LYS49
|
3.3
|
23.1
|
1.0
|
HZ3
|
C:LYS49
|
3.4
|
16.2
|
1.0
|
O
|
B:HOH623
|
3.5
|
30.1
|
1.0
|
NZ
|
B:LYS49
|
3.5
|
14.8
|
1.0
|
CE
|
B:LYS49
|
3.6
|
20.9
|
1.0
|
HB
|
B:VAL64
|
3.7
|
11.8
|
1.0
|
HZ3
|
C:LYS61
|
3.7
|
28.5
|
1.0
|
CA
|
B:GLU63
|
3.7
|
12.6
|
1.0
|
HZ2
|
C:LYS49
|
3.8
|
16.2
|
1.0
|
HZ1
|
B:LYS49
|
3.8
|
17.8
|
1.0
|
O
|
B:VAL64
|
3.9
|
8.7
|
1.0
|
O
|
C:HOH592
|
3.9
|
39.9
|
1.0
|
O
|
B:VAL62
|
3.9
|
19.9
|
1.0
|
HE2
|
C:LYS49
|
3.9
|
20.6
|
1.0
|
C
|
B:GLU63
|
3.9
|
10.3
|
1.0
|
CD
|
B:LYS49
|
4.0
|
19.2
|
1.0
|
HZ1
|
C:LYS61
|
4.0
|
28.5
|
1.0
|
HG23
|
B:VAL64
|
4.1
|
15.3
|
1.0
|
CE
|
C:LYS49
|
4.1
|
17.1
|
1.0
|
CA
|
B:VAL64
|
4.1
|
6.5
|
1.0
|
HE3
|
C:LYS49
|
4.2
|
20.6
|
1.0
|
CB
|
B:VAL64
|
4.3
|
9.8
|
1.0
|
HZ2
|
B:LYS49
|
4.3
|
17.8
|
1.0
|
HD3
|
B:LYS49
|
4.3
|
23.1
|
1.0
|
HB3
|
B:GLU63
|
4.4
|
18.7
|
1.0
|
C
|
B:VAL64
|
4.5
|
12.0
|
1.0
|
HE3
|
B:LYS49
|
4.5
|
25.1
|
1.0
|
CB
|
B:GLU63
|
4.6
|
15.6
|
1.0
|
CD
|
C:LYS61
|
4.6
|
29.7
|
1.0
|
CG2
|
B:VAL64
|
4.7
|
12.8
|
1.0
|
O
|
B:HOH572
|
4.7
|
34.9
|
1.0
|
HG2
|
B:GLU63
|
4.7
|
16.7
|
1.0
|
CL
|
B:CL401
|
4.7
|
19.5
|
1.0
|
N
|
B:GLU63
|
4.7
|
13.8
|
1.0
|
C
|
B:VAL62
|
4.7
|
19.4
|
1.0
|
HG3
|
C:LYS61
|
4.8
|
28.4
|
1.0
|
|
Reference:
M.W.Vetting,
N.F.Al Obaidi,
L.L.Morisco,
S.R.Wasserman,
S.Sojitra,
M.Stead,
J.D.Attonito,
A.Scott Glenn,
S.Chowdhury,
B.Evans,
B.Hillerich,
J.Love,
R.D.Seidel,
H.J.Imker,
J.A.Gerlt,
S.C.Almo,
Enzyme Function Initiative (Efi).
Crystal Structure of A Trap Periplasmic Solute Binding Protein From Rhodopseudomonas Palustris HAA2 (RPB_3329), Target Efi-510223, with Bound Succinate To Be Published.
Page generated: Thu Jul 25 23:16:14 2024
|