Chlorine in PDB 4oa4: Crystal Structure of A Trap Periplasmic Solute Binding Protein From Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, with Bound Succinate
Protein crystallography data
The structure of Crystal Structure of A Trap Periplasmic Solute Binding Protein From Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, with Bound Succinate, PDB code: 4oa4
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)
|
25.22 /
1.60
|
|
Space group
|
P 1 21 1
|
|
Cell size a, b, c (Å), α, β, γ (°)
|
80.216,
117.950,
89.430,
90.00,
93.00,
90.00
|
|
R / Rfree (%)
|
15.4 /
18.2
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, with Bound Succinate
(pdb code 4oa4). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 9 binding sites of Chlorine where determined in the
Crystal Structure of A Trap Periplasmic Solute Binding Protein From Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, with Bound Succinate, PDB code: 4oa4:
Jump to Chlorine binding site number:
1;
2;
3;
4;
5;
6;
7;
8;
9;
Chlorine binding site 1 out
of 9 in 4oa4
Go back to
Chlorine Binding Sites List in 4oa4
Chlorine binding site 1 out
of 9 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, 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 Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, with Bound Succinate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl402
b:25.2
occ:1.00
|
H
|
A:ALA43
|
2.3
|
14.4
|
1.0
|
|
HG2
|
A:LYS224
|
2.6
|
25.1
|
1.0
|
|
HB
|
A:VAL42
|
2.7
|
10.9
|
1.0
|
|
OG
|
A:SER223
|
2.8
|
12.0
|
1.0
|
|
HG21
|
A:THR46
|
2.9
|
13.6
|
1.0
|
|
OD1
|
A:ASN220
|
2.9
|
9.8
|
1.0
|
|
HG
|
A:SER223
|
2.9
|
14.4
|
1.0
|
|
HD3
|
A:LYS224
|
3.0
|
31.6
|
1.0
|
|
N
|
A:ALA43
|
3.1
|
12.0
|
1.0
|
|
HE2
|
A:PHE199
|
3.2
|
12.0
|
1.0
|
|
HA
|
A:VAL42
|
3.2
|
13.5
|
1.0
|
|
HB3
|
A:ALA43
|
3.3
|
15.1
|
1.0
|
|
CG
|
A:LYS224
|
3.4
|
20.9
|
1.0
|
|
HZ
|
A:PHE199
|
3.4
|
12.4
|
1.0
|
|
CB
|
A:VAL42
|
3.5
|
9.1
|
1.0
|
|
HA
|
A:ASN220
|
3.5
|
11.9
|
1.0
|
|
HG12
|
A:VAL42
|
3.5
|
14.3
|
1.0
|
|
HB2
|
A:ALA43
|
3.5
|
15.1
|
1.0
|
|
HG3
|
A:LYS224
|
3.6
|
25.1
|
1.0
|
|
CD
|
A:LYS224
|
3.7
|
26.3
|
1.0
|
|
CA
|
A:VAL42
|
3.7
|
11.3
|
1.0
|
|
CG2
|
A:THR46
|
3.7
|
11.4
|
1.0
|
|
CB
|
A:ALA43
|
3.8
|
12.6
|
1.0
|
|
CE2
|
A:PHE199
|
3.9
|
10.0
|
1.0
|
|
HG22
|
A:THR46
|
3.9
|
13.6
|
1.0
|
|
C
|
A:VAL42
|
3.9
|
12.9
|
1.0
|
|
HB2
|
A:SER223
|
3.9
|
17.4
|
1.0
|
|
CG1
|
A:VAL42
|
4.0
|
11.9
|
1.0
|
|
CB
|
A:SER223
|
4.0
|
14.5
|
1.0
|
|
CG
|
A:ASN220
|
4.0
|
8.3
|
1.0
|
|
CZ
|
A:PHE199
|
4.0
|
10.3
|
1.0
|
|
HG23
|
A:THR46
|
4.0
|
13.6
|
1.0
|
|
CA
|
A:ALA43
|
4.0
|
10.7
|
1.0
|
|
HD2
|
A:LYS224
|
4.1
|
31.6
|
1.0
|
|
HG11
|
A:VAL42
|
4.2
|
14.3
|
1.0
|
|
O
|
A:HOH511
|
4.4
|
9.5
|
1.0
|
|
CA
|
A:ASN220
|
4.4
|
9.9
|
1.0
|
|
O
|
A:HOH685
|
4.5
|
39.9
|
1.0
|
|
HB3
|
A:SER223
|
4.5
|
17.4
|
1.0
|
|
CB
|
A:ASN220
|
4.6
|
11.8
|
1.0
|
|
HB1
|
A:ALA43
|
4.7
|
15.1
|
1.0
|
|
CB
|
A:LYS224
|
4.7
|
12.6
|
1.0
|
|
HB3
|
A:ASN220
|
4.7
|
14.1
|
1.0
|
|
N
|
A:LYS224
|
4.7
|
10.8
|
1.0
|
|
CG2
|
A:VAL42
|
4.7
|
11.2
|
1.0
|
|
H
|
A:LYS224
|
4.7
|
12.9
|
1.0
|
|
C
|
A:SER223
|
4.7
|
9.6
|
1.0
|
|
HA
|
A:ALA43
|
4.8
|
12.8
|
1.0
|
|
HG23
|
A:VAL42
|
4.8
|
13.5
|
1.0
|
|
HG13
|
A:VAL42
|
4.8
|
14.3
|
1.0
|
|
O
|
A:ALA43
|
4.8
|
12.5
|
1.0
|
|
HB2
|
A:LYS224
|
4.8
|
15.1
|
1.0
|
|
HE2
|
A:LYS224
|
4.9
|
36.3
|
1.0
|
|
CB
|
A:THR46
|
4.9
|
10.8
|
1.0
|
|
CE
|
A:LYS224
|
4.9
|
30.2
|
1.0
|
|
HG21
|
A:VAL42
|
4.9
|
13.5
|
1.0
|
|
C
|
A:ALA43
|
4.9
|
12.1
|
1.0
|
|
HB
|
A:THR46
|
4.9
|
12.9
|
1.0
|
|
CA
|
A:SER223
|
4.9
|
11.4
|
1.0
|
|
O
|
A:ASN220
|
4.9
|
9.1
|
1.0
|
|
O
|
A:SER219
|
5.0
|
8.6
|
1.0
|
|
ND2
|
A:ASN220
|
5.0
|
10.2
|
1.0
|
|
Chlorine binding site 2 out
of 9 in 4oa4
Go back to
Chlorine Binding Sites List in 4oa4
Chlorine binding site 2 out
of 9 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, 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 Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, with Bound Succinate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl403
b:18.5
occ:1.00
|
H
|
A:ASP80
|
2.4
|
15.1
|
1.0
|
|
HG
|
A:SER75
|
2.4
|
15.4
|
1.0
|
|
H
|
A:SER200
|
2.6
|
13.8
|
1.0
|
|
O
|
A:HOH749
|
2.8
|
23.2
|
1.0
|
|
HB3
|
A:SER200
|
2.9
|
14.5
|
1.0
|
|
OG
|
A:SER75
|
3.0
|
12.9
|
1.0
|
|
HB2
|
A:PRO198
|
3.0
|
16.1
|
1.0
|
|
HA3
|
A:GLY79
|
3.2
|
17.6
|
1.0
|
|
N
|
A:ASP80
|
3.2
|
12.6
|
1.0
|
|
HG11
|
A:VAL41
|
3.4
|
11.9
|
1.0
|
|
N
|
A:SER200
|
3.4
|
11.5
|
1.0
|
|
HA2
|
A:GLY79
|
3.4
|
17.6
|
1.0
|
|
H
|
A:PHE199
|
3.4
|
12.4
|
1.0
|
|
HB2
|
A:ASP80
|
3.5
|
15.5
|
1.0
|
|
HG12
|
A:VAL41
|
3.5
|
11.9
|
1.0
|
|
HB
|
A:VAL41
|
3.5
|
10.5
|
1.0
|
|
OG
|
A:SER200
|
3.6
|
14.6
|
1.0
|
|
CB
|
A:SER200
|
3.6
|
12.1
|
1.0
|
|
HB3
|
A:PHE199
|
3.6
|
11.2
|
1.0
|
|
HG
|
A:SER200
|
3.6
|
17.5
|
1.0
|
|
CA
|
A:GLY79
|
3.6
|
14.6
|
1.0
|
|
HB3
|
A:PRO198
|
3.7
|
16.1
|
1.0
|
|
HB3
|
A:SER75
|
3.7
|
14.2
|
1.0
|
|
CB
|
A:PRO198
|
3.8
|
13.4
|
1.0
|
|
N
|
A:PHE199
|
3.8
|
10.3
|
1.0
|
|
CG1
|
A:VAL41
|
3.8
|
9.9
|
1.0
|
|
CB
|
A:SER75
|
3.9
|
11.8
|
1.0
|
|
C
|
A:GLY79
|
3.9
|
11.9
|
1.0
|
|
CB
|
A:ASP80
|
4.0
|
12.9
|
1.0
|
|
CG
|
A:ASP80
|
4.0
|
12.4
|
1.0
|
|
CA
|
A:SER200
|
4.1
|
10.5
|
1.0
|
|
CB
|
A:VAL41
|
4.2
|
8.7
|
1.0
|
|
CA
|
A:ASP80
|
4.2
|
14.3
|
1.0
|
|
C
|
A:PRO198
|
4.3
|
9.7
|
1.0
|
|
HB2
|
A:SER75
|
4.3
|
14.2
|
1.0
|
|
OD1
|
A:ASP80
|
4.3
|
12.8
|
1.0
|
|
O
|
A:HOH670
|
4.3
|
21.7
|
1.0
|
|
O
|
A:HOH533
|
4.3
|
15.2
|
1.0
|
|
C
|
A:PHE199
|
4.4
|
11.2
|
1.0
|
|
CA
|
A:PHE199
|
4.4
|
9.3
|
1.0
|
|
CB
|
A:PHE199
|
4.4
|
9.3
|
1.0
|
|
OD2
|
A:ASP80
|
4.4
|
14.1
|
1.0
|
|
HB2
|
A:SER200
|
4.4
|
14.5
|
1.0
|
|
CA
|
A:PRO198
|
4.5
|
10.1
|
1.0
|
|
HA
|
A:PRO198
|
4.5
|
12.1
|
1.0
|
|
HA
|
A:SER200
|
4.6
|
12.6
|
1.0
|
|
HA
|
A:ASP80
|
4.6
|
17.1
|
1.0
|
|
O
|
A:HOH890
|
4.7
|
37.2
|
1.0
|
|
HG13
|
A:VAL41
|
4.7
|
11.9
|
1.0
|
|
HG21
|
A:VAL41
|
4.7
|
12.3
|
1.0
|
|
HB2
|
A:PHE199
|
4.7
|
11.2
|
1.0
|
|
H
|
A:ASN81
|
4.9
|
16.4
|
1.0
|
|
HB3
|
A:ASP80
|
4.9
|
15.5
|
1.0
|
|
CG
|
A:PRO198
|
5.0
|
17.7
|
1.0
|
|
HG2
|
A:PRO198
|
5.0
|
21.2
|
1.0
|
|
Chlorine binding site 3 out
of 9 in 4oa4
Go back to
Chlorine Binding Sites List in 4oa4
Chlorine binding site 3 out
of 9 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, 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 Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, with Bound Succinate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl404
b:16.4
occ:1.00
|
H
|
A:TYR150
|
2.5
|
9.7
|
1.0
|
|
HE22
|
A:GLN129
|
2.5
|
17.3
|
1.0
|
|
HE22
|
A:GLN134
|
2.6
|
15.1
|
1.0
|
|
O
|
A:HOH786
|
2.8
|
45.6
|
1.0
|
|
HD2
|
A:TYR150
|
3.0
|
10.8
|
1.0
|
|
O
|
A:HOH567
|
3.0
|
19.5
|
1.0
|
|
HA2
|
A:GLY149
|
3.0
|
10.8
|
1.0
|
|
N
|
A:TYR150
|
3.3
|
8.1
|
1.0
|
|
NE2
|
A:GLN129
|
3.4
|
14.4
|
1.0
|
|
HD11
|
A:LEU137
|
3.4
|
19.6
|
1.0
|
|
O
|
A:HOH922
|
3.5
|
40.5
|
1.0
|
|
NE2
|
A:GLN134
|
3.5
|
12.5
|
1.0
|
|
HB2
|
A:TYR150
|
3.6
|
11.1
|
1.0
|
|
CA
|
A:GLY149
|
3.7
|
9.0
|
1.0
|
|
HA3
|
A:GLY149
|
3.7
|
10.8
|
1.0
|
|
O
|
B:HOH901
|
3.8
|
41.0
|
1.0
|
|
HE21
|
A:GLN129
|
3.8
|
17.3
|
1.0
|
|
CD2
|
A:TYR150
|
3.8
|
9.0
|
1.0
|
|
HE21
|
A:GLN134
|
3.9
|
15.1
|
1.0
|
|
C
|
A:GLY149
|
4.0
|
8.5
|
1.0
|
|
O
|
A:HOH555
|
4.0
|
20.0
|
1.0
|
|
CB
|
A:TYR150
|
4.2
|
9.3
|
1.0
|
|
HD21
|
A:LEU137
|
4.2
|
18.5
|
1.0
|
|
CA
|
A:TYR150
|
4.3
|
9.5
|
1.0
|
|
CD
|
A:GLN129
|
4.3
|
16.6
|
1.0
|
|
OE1
|
A:GLN134
|
4.3
|
12.9
|
1.0
|
|
CD
|
A:GLN134
|
4.3
|
12.1
|
1.0
|
|
OE1
|
A:GLN129
|
4.4
|
16.2
|
1.0
|
|
CD1
|
A:LEU137
|
4.4
|
16.3
|
1.0
|
|
O
|
A:HOH549
|
4.4
|
20.7
|
1.0
|
|
O
|
A:HOH516
|
4.5
|
13.6
|
1.0
|
|
CG
|
A:TYR150
|
4.5
|
9.1
|
1.0
|
|
O
|
A:TYR150
|
4.5
|
10.1
|
1.0
|
|
HD13
|
A:LEU137
|
4.6
|
19.6
|
1.0
|
|
HE2
|
A:TYR150
|
4.7
|
13.7
|
1.0
|
|
CE2
|
A:TYR150
|
4.8
|
11.4
|
1.0
|
|
HD12
|
A:LEU137
|
4.9
|
19.6
|
1.0
|
|
C
|
A:TYR150
|
4.9
|
7.8
|
1.0
|
|
O
|
A:HOH518
|
4.9
|
12.6
|
1.0
|
|
HB3
|
A:GLN128
|
5.0
|
10.1
|
1.0
|
|
Chlorine binding site 4 out
of 9 in 4oa4
Go back to
Chlorine Binding Sites List in 4oa4
Chlorine binding site 4 out
of 9 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, 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 Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, with Bound Succinate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl402
b:15.8
occ:1.00
|
HE22
|
B:GLN129
|
2.5
|
19.1
|
1.0
|
|
H
|
B:TYR150
|
2.5
|
13.3
|
1.0
|
|
HE22
|
B:GLN134
|
2.5
|
19.8
|
1.0
|
|
HD2
|
B:TYR150
|
3.0
|
14.3
|
1.0
|
|
HA2
|
B:GLY149
|
3.0
|
16.7
|
1.0
|
|
O
|
B:HOH559
|
3.1
|
19.6
|
1.0
|
|
NE2
|
B:GLN129
|
3.3
|
15.9
|
1.0
|
|
N
|
B:TYR150
|
3.3
|
11.1
|
1.0
|
|
O
|
B:HOH638
|
3.4
|
25.6
|
1.0
|
|
NE2
|
B:GLN134
|
3.4
|
16.5
|
1.0
|
|
HB2
|
B:TYR150
|
3.4
|
16.0
|
1.0
|
|
HD11
|
B:LEU137
|
3.5
|
19.9
|
1.0
|
|
HE21
|
B:GLN129
|
3.7
|
19.1
|
1.0
|
|
CA
|
B:GLY149
|
3.7
|
13.9
|
1.0
|
|
HA3
|
B:GLY149
|
3.7
|
16.7
|
1.0
|
|
CD2
|
B:TYR150
|
3.8
|
11.9
|
1.0
|
|
HE21
|
B:GLN134
|
3.9
|
19.8
|
1.0
|
|
O
|
B:HOH725
|
4.0
|
30.2
|
1.0
|
|
O
|
B:HOH634
|
4.0
|
26.4
|
1.0
|
|
C
|
B:GLY149
|
4.1
|
13.8
|
1.0
|
|
CB
|
B:TYR150
|
4.1
|
13.3
|
1.0
|
|
OE1
|
B:GLN134
|
4.2
|
17.6
|
1.0
|
|
CD
|
B:GLN134
|
4.2
|
19.1
|
1.0
|
|
CD
|
B:GLN129
|
4.3
|
21.1
|
1.0
|
|
CA
|
B:TYR150
|
4.3
|
10.4
|
1.0
|
|
O
|
B:HOH751
|
4.3
|
45.6
|
1.0
|
|
O
|
B:HOH519
|
4.3
|
17.9
|
1.0
|
|
O
|
B:HOH584
|
4.3
|
23.3
|
1.0
|
|
HD21
|
B:LEU137
|
4.4
|
14.0
|
1.0
|
|
OE1
|
B:GLN129
|
4.4
|
17.8
|
1.0
|
|
CD1
|
B:LEU137
|
4.4
|
16.6
|
1.0
|
|
O
|
B:TYR150
|
4.4
|
16.4
|
1.0
|
|
CG
|
B:TYR150
|
4.4
|
11.7
|
1.0
|
|
HD13
|
B:LEU137
|
4.6
|
19.9
|
1.0
|
|
CE2
|
B:TYR150
|
4.8
|
12.4
|
1.0
|
|
HE2
|
B:TYR150
|
4.8
|
14.9
|
1.0
|
|
HD12
|
B:LEU137
|
4.8
|
19.9
|
1.0
|
|
O
|
B:HOH578
|
4.9
|
16.8
|
1.0
|
|
C
|
B:TYR150
|
4.9
|
10.8
|
1.0
|
|
HB3
|
B:GLN128
|
5.0
|
16.0
|
1.0
|
|
HB3
|
B:TYR150
|
5.0
|
16.0
|
1.0
|
|
Chlorine binding site 5 out
of 9 in 4oa4
Go back to
Chlorine Binding Sites List in 4oa4
Chlorine binding site 5 out
of 9 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, 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 Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, with Bound Succinate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
B:Cl403
b:16.2
occ:1.00
|
H
|
B:ASP80
|
2.4
|
11.7
|
1.0
|
|
HG
|
B:SER75
|
2.4
|
15.0
|
1.0
|
|
H
|
B:SER200
|
2.5
|
13.6
|
1.0
|
|
O
|
B:HOH592
|
2.9
|
20.7
|
1.0
|
|
HB3
|
B:SER200
|
3.0
|
18.0
|
1.0
|
|
OG
|
B:SER75
|
3.0
|
12.5
|
1.0
|
|
HB2
|
B:PRO198
|
3.0
|
17.4
|
1.0
|
|
HA3
|
B:GLY79
|
3.2
|
20.4
|
1.0
|
|
N
|
B:ASP80
|
3.2
|
9.8
|
1.0
|
|
H
|
B:PHE199
|
3.3
|
13.4
|
1.0
|
|
N
|
B:SER200
|
3.4
|
11.4
|
1.0
|
|
HG11
|
B:VAL41
|
3.4
|
11.2
|
1.0
|
|
HA2
|
B:GLY79
|
3.4
|
20.4
|
1.0
|
|
HB2
|
B:ASP80
|
3.4
|
13.9
|
1.0
|
|
HB3
|
B:PHE199
|
3.5
|
11.3
|
1.0
|
|
HB
|
B:VAL41
|
3.5
|
14.1
|
1.0
|
|
OG
|
B:SER200
|
3.5
|
17.5
|
1.0
|
|
HB3
|
B:PRO198
|
3.6
|
17.4
|
1.0
|
|
HG12
|
B:VAL41
|
3.6
|
11.2
|
1.0
|
|
HG
|
B:SER200
|
3.6
|
21.0
|
1.0
|
|
CB
|
B:SER200
|
3.6
|
15.0
|
1.0
|
|
CA
|
B:GLY79
|
3.6
|
17.0
|
1.0
|
|
N
|
B:PHE199
|
3.7
|
11.2
|
1.0
|
|
CB
|
B:PRO198
|
3.7
|
14.5
|
1.0
|
|
HB3
|
B:SER75
|
3.8
|
15.8
|
1.0
|
|
CG1
|
B:VAL41
|
3.8
|
9.4
|
1.0
|
|
CB
|
B:SER75
|
3.9
|
13.1
|
1.0
|
|
C
|
B:GLY79
|
3.9
|
8.7
|
1.0
|
|
CB
|
B:ASP80
|
4.0
|
11.6
|
1.0
|
|
CG
|
B:ASP80
|
4.0
|
14.0
|
1.0
|
|
CA
|
B:SER200
|
4.1
|
9.5
|
1.0
|
|
CA
|
B:ASP80
|
4.2
|
12.5
|
1.0
|
|
C
|
B:PRO198
|
4.2
|
11.4
|
1.0
|
|
CB
|
B:VAL41
|
4.2
|
11.8
|
1.0
|
|
O
|
B:HOH616
|
4.2
|
25.7
|
1.0
|
|
CB
|
B:PHE199
|
4.2
|
9.4
|
1.0
|
|
CA
|
B:PHE199
|
4.3
|
9.2
|
1.0
|
|
OD1
|
B:ASP80
|
4.3
|
11.5
|
1.0
|
|
HB2
|
B:SER75
|
4.3
|
15.8
|
1.0
|
|
C
|
B:PHE199
|
4.3
|
9.3
|
1.0
|
|
CA
|
B:PRO198
|
4.4
|
14.0
|
1.0
|
|
OD2
|
B:ASP80
|
4.4
|
12.7
|
1.0
|
|
O
|
B:HOH525
|
4.4
|
15.2
|
1.0
|
|
HA
|
B:PRO198
|
4.4
|
16.8
|
1.0
|
|
HB2
|
B:SER200
|
4.5
|
18.0
|
1.0
|
|
HB2
|
B:PHE199
|
4.5
|
11.3
|
1.0
|
|
O
|
B:HOH826
|
4.5
|
47.2
|
1.0
|
|
HA
|
B:SER200
|
4.6
|
11.4
|
1.0
|
|
HA
|
B:ASP80
|
4.6
|
15.0
|
1.0
|
|
HG21
|
B:VAL41
|
4.7
|
13.4
|
1.0
|
|
HG13
|
B:VAL41
|
4.7
|
11.2
|
1.0
|
|
H
|
B:ASN81
|
4.9
|
13.1
|
1.0
|
|
HB3
|
B:ASP80
|
4.9
|
13.9
|
1.0
|
|
CG
|
B:PRO198
|
4.9
|
16.9
|
1.0
|
|
O
|
B:PRO198
|
5.0
|
10.8
|
1.0
|
|
Chlorine binding site 6 out
of 9 in 4oa4
Go back to
Chlorine Binding Sites List in 4oa4
Chlorine binding site 6 out
of 9 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, 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 Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, with Bound Succinate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl402
b:20.2
occ:1.00
|
H
|
C:ASP80
|
2.5
|
16.2
|
1.0
|
|
H
|
C:SER200
|
2.6
|
17.2
|
1.0
|
|
O
|
C:HOH720
|
2.8
|
29.1
|
1.0
|
|
HB3
|
C:SER200
|
3.0
|
17.3
|
1.0
|
|
OG
|
C:SER75
|
3.0
|
12.1
|
1.0
|
|
HB3
|
C:PRO198
|
3.3
|
21.6
|
1.0
|
|
N
|
C:ASP80
|
3.3
|
13.5
|
1.0
|
|
HB2
|
C:PRO198
|
3.3
|
21.6
|
1.0
|
|
HA3
|
C:GLY79
|
3.3
|
14.9
|
1.0
|
|
HB2
|
C:ASP80
|
3.3
|
14.5
|
1.0
|
|
N
|
C:SER200
|
3.4
|
14.3
|
1.0
|
|
OG
|
C:SER200
|
3.4
|
14.5
|
1.0
|
|
HG
|
C:SER75
|
3.5
|
14.6
|
1.0
|
|
HG11
|
C:VAL41
|
3.5
|
16.3
|
1.0
|
|
HA2
|
C:GLY79
|
3.5
|
14.9
|
1.0
|
|
H
|
C:PHE199
|
3.5
|
12.6
|
1.0
|
|
HG
|
C:SER200
|
3.5
|
17.4
|
1.0
|
|
HG12
|
C:VAL41
|
3.6
|
16.3
|
1.0
|
|
CB
|
C:SER200
|
3.6
|
14.4
|
1.0
|
|
HB3
|
C:PHE199
|
3.6
|
14.3
|
1.0
|
|
HB
|
C:VAL41
|
3.7
|
12.9
|
1.0
|
|
CB
|
C:PRO198
|
3.7
|
18.0
|
1.0
|
|
HB3
|
C:SER75
|
3.8
|
13.3
|
1.0
|
|
CA
|
C:GLY79
|
3.8
|
12.4
|
1.0
|
|
N
|
C:PHE199
|
3.8
|
10.5
|
1.0
|
|
CG1
|
C:VAL41
|
3.9
|
13.6
|
1.0
|
|
CB
|
C:SER75
|
3.9
|
11.1
|
1.0
|
|
O
|
C:HOH620
|
4.0
|
23.6
|
1.0
|
|
CB
|
C:ASP80
|
4.0
|
12.1
|
1.0
|
|
C
|
C:GLY79
|
4.1
|
14.1
|
1.0
|
|
CG
|
C:ASP80
|
4.1
|
13.8
|
1.0
|
|
CA
|
C:SER200
|
4.1
|
15.2
|
1.0
|
|
CA
|
C:ASP80
|
4.2
|
11.8
|
1.0
|
|
C
|
C:PRO198
|
4.3
|
12.8
|
1.0
|
|
HB2
|
C:SER75
|
4.3
|
13.3
|
1.0
|
|
CB
|
C:VAL41
|
4.3
|
10.8
|
1.0
|
|
O
|
C:HOH522
|
4.3
|
16.0
|
1.0
|
|
C
|
C:PHE199
|
4.4
|
13.1
|
1.0
|
|
CB
|
C:PHE199
|
4.4
|
11.9
|
1.0
|
|
CA
|
C:PHE199
|
4.4
|
10.4
|
1.0
|
|
OD1
|
C:ASP80
|
4.4
|
13.3
|
1.0
|
|
OD2
|
C:ASP80
|
4.4
|
14.5
|
1.0
|
|
CA
|
C:PRO198
|
4.4
|
12.2
|
1.0
|
|
HB2
|
C:SER200
|
4.5
|
17.3
|
1.0
|
|
HA
|
C:PRO198
|
4.5
|
14.7
|
1.0
|
|
O
|
C:HOH948
|
4.6
|
40.1
|
1.0
|
|
HA
|
C:SER200
|
4.6
|
18.2
|
1.0
|
|
HB2
|
C:PHE199
|
4.7
|
14.3
|
1.0
|
|
HA
|
C:ASP80
|
4.7
|
14.2
|
1.0
|
|
HG13
|
C:VAL41
|
4.8
|
16.3
|
1.0
|
|
HG21
|
C:VAL41
|
4.8
|
14.7
|
1.0
|
|
H
|
C:ASN81
|
4.9
|
16.4
|
1.0
|
|
HB3
|
C:ASP80
|
4.9
|
14.5
|
1.0
|
|
CG
|
C:PRO198
|
5.0
|
24.5
|
1.0
|
|
O
|
C:PRO198
|
5.0
|
13.4
|
1.0
|
|
Chlorine binding site 7 out
of 9 in 4oa4
Go back to
Chlorine Binding Sites List in 4oa4
Chlorine binding site 7 out
of 9 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, 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 Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, with Bound Succinate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
C:Cl403
b:16.1
occ:1.00
|
H
|
C:TYR150
|
2.5
|
15.0
|
1.0
|
|
HE22
|
C:GLN134
|
2.5
|
19.1
|
1.0
|
|
HE22
|
C:GLN129
|
2.5
|
19.1
|
1.0
|
|
HA2
|
C:GLY149
|
3.0
|
16.4
|
1.0
|
|
HD2
|
C:TYR150
|
3.0
|
13.5
|
1.0
|
|
O
|
C:HOH579
|
3.2
|
22.2
|
1.0
|
|
N
|
C:TYR150
|
3.3
|
12.5
|
1.0
|
|
NE2
|
C:GLN134
|
3.3
|
15.9
|
1.0
|
|
HD11
|
C:LEU137
|
3.4
|
19.7
|
1.0
|
|
NE2
|
C:GLN129
|
3.4
|
15.9
|
1.0
|
|
HB2
|
C:TYR150
|
3.6
|
16.7
|
1.0
|
|
O
|
C:HOH679
|
3.7
|
33.5
|
1.0
|
|
CA
|
C:GLY149
|
3.7
|
13.7
|
1.0
|
|
HA3
|
C:GLY149
|
3.8
|
16.4
|
1.0
|
|
HE21
|
C:GLN129
|
3.8
|
19.1
|
1.0
|
|
HE21
|
C:GLN134
|
3.8
|
19.1
|
1.0
|
|
CD2
|
C:TYR150
|
3.8
|
11.3
|
1.0
|
|
O
|
C:HOH785
|
3.8
|
34.2
|
1.0
|
|
C
|
C:GLY149
|
4.0
|
11.1
|
1.0
|
|
O
|
C:HOH870
|
4.0
|
40.2
|
1.0
|
|
HD21
|
C:LEU137
|
4.1
|
23.1
|
1.0
|
|
CB
|
C:TYR150
|
4.2
|
13.9
|
1.0
|
|
O
|
C:HOH632
|
4.2
|
25.9
|
1.0
|
|
CD
|
C:GLN134
|
4.2
|
14.8
|
1.0
|
|
OE1
|
C:GLN134
|
4.3
|
18.4
|
1.0
|
|
CD1
|
C:LEU137
|
4.3
|
16.4
|
1.0
|
|
CA
|
C:TYR150
|
4.3
|
11.1
|
1.0
|
|
CD
|
C:GLN129
|
4.3
|
18.5
|
1.0
|
|
OE1
|
C:GLN129
|
4.4
|
17.6
|
1.0
|
|
O
|
C:HOH525
|
4.4
|
18.1
|
1.0
|
|
O
|
C:TYR150
|
4.5
|
12.6
|
1.0
|
|
CG
|
C:TYR150
|
4.5
|
14.0
|
1.0
|
|
HD13
|
C:LEU137
|
4.5
|
19.7
|
1.0
|
|
O
|
C:HOH619
|
4.6
|
31.1
|
1.0
|
|
HE2
|
C:TYR150
|
4.8
|
14.0
|
1.0
|
|
CE2
|
C:TYR150
|
4.8
|
11.7
|
1.0
|
|
HD12
|
C:LEU137
|
4.8
|
19.7
|
1.0
|
|
O
|
C:HOH513
|
4.9
|
14.9
|
1.0
|
|
C
|
C:TYR150
|
4.9
|
11.4
|
1.0
|
|
CD2
|
C:LEU137
|
4.9
|
19.2
|
1.0
|
|
N
|
C:GLY149
|
5.0
|
12.8
|
1.0
|
|
Chlorine binding site 8 out
of 9 in 4oa4
Go back to
Chlorine Binding Sites List in 4oa4
Chlorine binding site 8 out
of 9 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, 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 Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, with Bound Succinate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl402
b:17.8
occ:1.00
|
HG
|
D:SER75
|
2.4
|
13.6
|
1.0
|
|
H
|
D:ASP80
|
2.4
|
14.7
|
1.0
|
|
H
|
D:SER200
|
2.6
|
13.1
|
1.0
|
|
HB3
|
D:SER200
|
2.8
|
17.6
|
1.0
|
|
HB2
|
D:PRO198
|
2.9
|
20.4
|
1.0
|
|
O
|
D:HOH609
|
3.0
|
24.2
|
1.0
|
|
OG
|
D:SER75
|
3.1
|
11.3
|
1.0
|
|
HA3
|
D:GLY79
|
3.2
|
14.2
|
1.0
|
|
N
|
D:ASP80
|
3.3
|
12.3
|
1.0
|
|
HG11
|
D:VAL41
|
3.4
|
11.7
|
1.0
|
|
N
|
D:SER200
|
3.4
|
10.9
|
1.0
|
|
HB
|
D:VAL41
|
3.5
|
11.6
|
1.0
|
|
HA2
|
D:GLY79
|
3.5
|
14.2
|
1.0
|
|
OG
|
D:SER200
|
3.5
|
15.7
|
1.0
|
|
HG12
|
D:VAL41
|
3.5
|
11.7
|
1.0
|
|
CB
|
D:SER200
|
3.5
|
14.7
|
1.0
|
|
H
|
D:PHE199
|
3.5
|
11.8
|
1.0
|
|
HB2
|
D:ASP80
|
3.6
|
15.3
|
1.0
|
|
HB3
|
D:PHE199
|
3.6
|
13.0
|
1.0
|
|
HG
|
D:SER200
|
3.6
|
18.9
|
1.0
|
|
CA
|
D:GLY79
|
3.7
|
11.8
|
1.0
|
|
CB
|
D:PRO198
|
3.8
|
16.9
|
1.0
|
|
CG1
|
D:VAL41
|
3.8
|
9.7
|
1.0
|
|
HB3
|
D:SER75
|
3.8
|
14.7
|
1.0
|
|
HB3
|
D:PRO198
|
3.8
|
20.4
|
1.0
|
|
N
|
D:PHE199
|
3.8
|
9.8
|
1.0
|
|
CB
|
D:SER75
|
4.0
|
12.3
|
1.0
|
|
O
|
D:HOH621
|
4.0
|
26.9
|
1.0
|
|
C
|
D:GLY79
|
4.0
|
8.9
|
1.0
|
|
CG
|
D:ASP80
|
4.0
|
12.8
|
1.0
|
|
CA
|
D:SER200
|
4.1
|
12.7
|
1.0
|
|
CB
|
D:ASP80
|
4.1
|
12.7
|
1.0
|
|
CB
|
D:VAL41
|
4.1
|
9.6
|
1.0
|
|
CA
|
D:ASP80
|
4.3
|
13.1
|
1.0
|
|
C
|
D:PRO198
|
4.3
|
10.0
|
1.0
|
|
OD1
|
D:ASP80
|
4.3
|
11.3
|
1.0
|
|
HB2
|
D:SER75
|
4.3
|
14.7
|
1.0
|
|
C
|
D:PHE199
|
4.3
|
9.8
|
1.0
|
|
O
|
D:HOH519
|
4.3
|
16.0
|
1.0
|
|
CB
|
D:PHE199
|
4.4
|
10.9
|
1.0
|
|
HB2
|
D:SER200
|
4.4
|
17.6
|
1.0
|
|
CA
|
D:PHE199
|
4.4
|
9.6
|
1.0
|
|
OD2
|
D:ASP80
|
4.4
|
12.9
|
1.0
|
|
CA
|
D:PRO198
|
4.5
|
10.9
|
1.0
|
|
HA
|
D:SER200
|
4.5
|
15.2
|
1.0
|
|
HA
|
D:PRO198
|
4.6
|
13.0
|
1.0
|
|
O
|
D:HOH890
|
4.7
|
38.6
|
1.0
|
|
HB2
|
D:PHE199
|
4.7
|
13.0
|
1.0
|
|
HG13
|
D:VAL41
|
4.7
|
11.7
|
1.0
|
|
HG21
|
D:VAL41
|
4.7
|
15.6
|
1.0
|
|
HA
|
D:ASP80
|
4.7
|
15.8
|
1.0
|
|
HG2
|
D:PRO198
|
4.9
|
24.1
|
1.0
|
|
CG
|
D:PRO198
|
4.9
|
20.1
|
1.0
|
|
H
|
D:ASN81
|
4.9
|
15.4
|
1.0
|
|
Chlorine binding site 9 out
of 9 in 4oa4
Go back to
Chlorine Binding Sites List in 4oa4
Chlorine binding site 9 out
of 9 in the Crystal Structure of A Trap Periplasmic Solute Binding Protein From Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, 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 Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, with Bound Succinate within 5.0Å range:
|
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
D:Cl403
b:15.8
occ:1.00
|
H
|
D:TYR150
|
2.4
|
14.2
|
1.0
|
|
HE22
|
D:GLN129
|
2.5
|
16.9
|
1.0
|
|
HE22
|
D:GLN134
|
2.5
|
14.7
|
1.0
|
|
HA2
|
D:GLY149
|
3.0
|
11.6
|
1.0
|
|
O
|
D:HOH595
|
3.0
|
19.7
|
1.0
|
|
HD2
|
D:TYR150
|
3.1
|
10.9
|
1.0
|
|
N
|
D:TYR150
|
3.3
|
11.8
|
1.0
|
|
NE2
|
D:GLN129
|
3.3
|
14.1
|
1.0
|
|
NE2
|
D:GLN134
|
3.4
|
12.3
|
1.0
|
|
O
|
D:HOH700
|
3.4
|
27.8
|
1.0
|
|
HD11
|
D:LEU137
|
3.5
|
14.6
|
1.0
|
|
HB2
|
D:TYR150
|
3.5
|
10.9
|
1.0
|
|
HA3
|
D:GLY149
|
3.7
|
11.6
|
1.0
|
|
CA
|
D:GLY149
|
3.7
|
9.7
|
1.0
|
|
HE21
|
D:GLN129
|
3.7
|
16.9
|
1.0
|
|
O
|
D:HOH811
|
3.8
|
24.0
|
1.0
|
|
HE21
|
D:GLN134
|
3.8
|
14.7
|
1.0
|
|
CD2
|
D:TYR150
|
3.9
|
9.1
|
1.0
|
|
C
|
D:GLY149
|
4.0
|
10.5
|
1.0
|
|
O
|
D:HOH908
|
4.1
|
47.4
|
1.0
|
|
O
|
D:HOH1034
|
4.2
|
24.0
|
1.0
|
|
CB
|
D:TYR150
|
4.2
|
9.1
|
1.0
|
|
O
|
D:HOH792
|
4.2
|
39.7
|
1.0
|
|
CA
|
D:TYR150
|
4.3
|
10.9
|
1.0
|
|
CD
|
D:GLN134
|
4.3
|
13.8
|
1.0
|
|
HD21
|
D:LEU137
|
4.3
|
16.4
|
1.0
|
|
OE1
|
D:GLN134
|
4.3
|
15.2
|
1.0
|
|
CD
|
D:GLN129
|
4.3
|
16.5
|
1.0
|
|
O
|
D:HOH535
|
4.4
|
12.6
|
1.0
|
|
OE1
|
D:GLN129
|
4.4
|
16.2
|
1.0
|
|
O
|
D:TYR150
|
4.4
|
13.2
|
1.0
|
|
CD1
|
D:LEU137
|
4.4
|
12.2
|
1.0
|
|
O
|
D:HOH610
|
4.5
|
25.2
|
1.0
|
|
CG
|
D:TYR150
|
4.5
|
9.4
|
1.0
|
|
HD13
|
D:LEU137
|
4.6
|
14.6
|
1.0
|
|
HE2
|
D:TYR150
|
4.9
|
13.1
|
1.0
|
|
CE2
|
D:TYR150
|
4.9
|
10.9
|
1.0
|
|
C
|
D:TYR150
|
4.9
|
10.2
|
1.0
|
|
O
|
D:HOH513
|
4.9
|
13.1
|
1.0
|
|
HD12
|
D:LEU137
|
4.9
|
14.6
|
1.0
|
|
N
|
D:GLY149
|
5.0
|
9.8
|
1.0
|
|
HB3
|
D:GLN128
|
5.0
|
11.5
|
1.0
|
|
O
|
D:HOH1017
|
5.0
|
50.5
|
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 Shewanella Loihica Pv-4 (SHEW_1446), Target Efi-510273, with Bound Succinate To Be Published.
Page generated: Thu Jul 25 23:16:54 2024
|
