Chlorine in PDB 7hjz: Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000016697555
Protein crystallography data
The structure of Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000016697555, PDB code: 7hjz
was solved by
G.J.Correy,
J.S.Fraser,
with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:
Resolution Low / High (Å)
|
45.20 /
1.60
|
Space group
|
P 1 21 1
|
Cell size a, b, c (Å), α, β, γ (°)
|
26.55,
47.129,
46.553,
90,
103.84,
90
|
R / Rfree (%)
|
17.2 /
21.4
|
Chlorine Binding Sites:
The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000016697555
(pdb code 7hjz). This binding sites where shown within
5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the
Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000016697555, PDB code: 7hjz:
Jump to Chlorine binding site number:
1;
2;
Chlorine binding site 1 out
of 2 in 7hjz
Go back to
Chlorine Binding Sites List in 7hjz
Chlorine binding site 1 out
of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000016697555
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 1 of Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000016697555 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl201
b:27.5
occ:0.35
|
CL
|
A:LVF201
|
0.0
|
27.5
|
0.3
|
O
|
A:HOH375
|
1.5
|
34.8
|
0.7
|
C
|
A:LVF201
|
1.8
|
19.8
|
0.3
|
C9
|
A:LVF201
|
2.7
|
19.3
|
0.3
|
C1
|
A:LVF201
|
2.7
|
33.1
|
0.3
|
H4
|
A:LVF201
|
2.7
|
23.2
|
0.3
|
H7
|
A:LVF201
|
2.8
|
39.7
|
0.3
|
HD2
|
A:PHE86
|
3.1
|
19.1
|
0.7
|
HA
|
A:ALA43
|
3.1
|
20.1
|
0.7
|
HA
|
A:ALA43
|
3.2
|
19.9
|
0.3
|
HE2
|
A:PHE86
|
3.2
|
21.1
|
0.7
|
HE2
|
A:PHE86
|
3.3
|
19.9
|
0.3
|
HD2
|
A:PHE86
|
3.4
|
20.0
|
0.3
|
HB1
|
A:ALA43
|
3.5
|
22.5
|
0.7
|
HB2
|
A:TYR46
|
3.5
|
23.6
|
0.7
|
HB2
|
A:TYR46
|
3.5
|
22.3
|
0.3
|
CD2
|
A:PHE86
|
3.7
|
15.9
|
0.7
|
CE2
|
A:PHE86
|
3.7
|
17.6
|
0.7
|
OD1
|
A:ASN87
|
3.8
|
25.8
|
0.3
|
HE3
|
A:LYS83
|
3.8
|
32.1
|
0.3
|
HD2
|
A:TYR46
|
3.8
|
27.2
|
0.7
|
HB1
|
A:ALA43
|
3.8
|
23.4
|
0.3
|
HG1
|
A:THR47
|
3.9
|
29.4
|
0.3
|
CE2
|
A:PHE86
|
3.9
|
16.6
|
0.3
|
HG3
|
A:LYS83
|
3.9
|
22.4
|
0.3
|
HG1
|
A:THR47
|
3.9
|
29.9
|
0.7
|
CD2
|
A:PHE86
|
3.9
|
16.7
|
0.3
|
CA
|
A:ALA43
|
3.9
|
16.7
|
0.7
|
HB2
|
A:ALA43
|
4.0
|
22.5
|
0.7
|
C2
|
A:LVF201
|
4.0
|
25.6
|
0.3
|
CB
|
A:ALA43
|
4.0
|
18.7
|
0.7
|
CA
|
A:ALA43
|
4.0
|
16.5
|
0.3
|
C8
|
A:LVF201
|
4.1
|
7.7
|
0.3
|
HD2
|
A:TYR46
|
4.1
|
21.4
|
0.3
|
O
|
A:ALA43
|
4.1
|
17.7
|
0.3
|
HG3
|
A:LYS83
|
4.1
|
20.0
|
0.7
|
OD1
|
A:ASN87
|
4.1
|
25.4
|
0.7
|
O
|
A:ALA43
|
4.1
|
19.7
|
0.7
|
HB3
|
A:TYR46
|
4.2
|
22.3
|
0.3
|
HD21
|
A:ASN87
|
4.2
|
30.1
|
0.3
|
CB
|
A:ALA43
|
4.3
|
19.4
|
0.3
|
HB2
|
A:ALA43
|
4.3
|
23.4
|
0.3
|
HE3
|
A:LYS83
|
4.3
|
47.4
|
0.7
|
CB
|
A:TYR46
|
4.3
|
18.5
|
0.3
|
HB3
|
A:TYR46
|
4.3
|
23.6
|
0.7
|
CB
|
A:TYR46
|
4.3
|
19.7
|
0.7
|
O
|
A:HOH303
|
4.4
|
29.9
|
0.7
|
OG1
|
A:THR47
|
4.5
|
24.5
|
0.3
|
C3
|
A:LVF201
|
4.5
|
22.9
|
0.3
|
OG1
|
A:THR47
|
4.5
|
24.9
|
0.7
|
C
|
A:ALA43
|
4.5
|
18.8
|
0.7
|
CD2
|
A:TYR46
|
4.5
|
22.7
|
0.7
|
C
|
A:ALA43
|
4.5
|
19.5
|
0.3
|
CG
|
A:ASN87
|
4.6
|
20.4
|
0.3
|
H
|
A:THR47
|
4.7
|
22.1
|
0.3
|
CE
|
A:LYS83
|
4.7
|
26.7
|
0.3
|
H
|
A:THR47
|
4.7
|
22.6
|
0.7
|
ND2
|
A:ASN87
|
4.8
|
25.1
|
0.3
|
CG
|
A:LYS83
|
4.8
|
18.6
|
0.3
|
O
|
A:HOH417
|
4.8
|
32.3
|
1.0
|
CG
|
A:PHE86
|
4.8
|
19.6
|
0.7
|
CD2
|
A:TYR46
|
4.9
|
17.8
|
0.3
|
H6
|
A:LVF201
|
4.9
|
30.8
|
0.3
|
CZ
|
A:PHE86
|
4.9
|
16.1
|
0.7
|
HB3
|
A:PHE86
|
4.9
|
22.5
|
0.7
|
CG
|
A:TYR46
|
4.9
|
17.0
|
0.7
|
HB3
|
A:ALA43
|
4.9
|
22.5
|
0.7
|
H2
|
A:LVF202
|
4.9
|
21.1
|
0.3
|
N
|
A:THR47
|
5.0
|
18.4
|
0.3
|
|
Chlorine binding site 2 out
of 2 in 7hjz
Go back to
Chlorine Binding Sites List in 7hjz
Chlorine binding site 2 out
of 2 in the Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000016697555
 Mono view
 Stereo pair view
|
A full contact list of Chlorine with other atoms in the Cl binding
site number 2 of Pandda Analysis Group Deposition -- Crystal Structure of Able in Complex with ZINC000016697555 within 5.0Å range:
probe
|
atom
|
residue
|
distance (Å)
|
B
|
Occ
|
A:Cl202
b:25.6
occ:0.35
|
CL
|
A:LVF202
|
0.0
|
25.6
|
0.3
|
C
|
A:LVF202
|
1.8
|
21.5
|
0.3
|
HA
|
A:PHE79
|
2.5
|
18.8
|
0.3
|
C1
|
A:LVF202
|
2.7
|
28.6
|
0.3
|
C9
|
A:LVF202
|
2.8
|
14.8
|
0.3
|
H7
|
A:LVF202
|
2.8
|
34.4
|
0.3
|
H4
|
A:LVF202
|
2.8
|
17.8
|
0.3
|
HB2
|
A:PHE79
|
2.9
|
14.6
|
0.3
|
HD2
|
A:PHE79
|
3.0
|
30.4
|
0.3
|
HA
|
A:PHE79
|
3.1
|
18.4
|
0.7
|
HZ
|
A:PHE75
|
3.1
|
23.6
|
0.7
|
CA
|
A:PHE79
|
3.2
|
15.7
|
0.3
|
HG22
|
A:THR78
|
3.2
|
30.8
|
0.7
|
CZ
|
A:PHE75
|
3.3
|
19.6
|
0.7
|
HD2
|
A:PHE79
|
3.4
|
21.3
|
0.7
|
CB
|
A:PHE79
|
3.4
|
12.1
|
0.3
|
HA3
|
A:GLY115
|
3.5
|
39.1
|
0.7
|
CD2
|
A:PHE79
|
3.6
|
25.4
|
0.3
|
N
|
A:PHE79
|
3.6
|
14.2
|
0.3
|
CE1
|
A:PHE75
|
3.6
|
22.8
|
0.7
|
HE1
|
A:PHE75
|
3.7
|
27.4
|
0.7
|
HB2
|
A:PHE79
|
3.7
|
17.2
|
0.7
|
H
|
A:PHE79
|
3.8
|
17.1
|
0.3
|
CA
|
A:PHE79
|
3.9
|
15.3
|
0.7
|
CG
|
A:PHE79
|
3.9
|
20.1
|
0.3
|
CE2
|
A:PHE75
|
3.9
|
24.3
|
0.7
|
C2
|
A:LVF202
|
4.0
|
26.9
|
0.3
|
HG12
|
A:VAL111
|
4.0
|
31.3
|
0.7
|
N
|
A:PHE79
|
4.1
|
16.5
|
0.7
|
C8
|
A:LVF202
|
4.1
|
7.6
|
0.3
|
CD2
|
A:PHE79
|
4.1
|
17.7
|
0.7
|
HE2
|
A:PHE75
|
4.1
|
29.2
|
0.7
|
CG2
|
A:THR78
|
4.1
|
25.7
|
0.7
|
CB
|
A:PHE79
|
4.2
|
14.3
|
0.7
|
C
|
A:THR78
|
4.2
|
15.1
|
0.3
|
HB
|
A:THR78
|
4.3
|
22.5
|
0.3
|
HB3
|
A:PHE79
|
4.3
|
14.6
|
0.3
|
H
|
A:PHE79
|
4.4
|
19.8
|
0.7
|
CA
|
A:GLY115
|
4.4
|
32.6
|
0.7
|
C
|
A:THR78
|
4.4
|
15.8
|
0.7
|
HB
|
A:THR78
|
4.4
|
22.4
|
0.7
|
HG21
|
A:THR78
|
4.4
|
30.8
|
0.7
|
O
|
A:THR78
|
4.4
|
18.1
|
0.3
|
HA2
|
A:GLY115
|
4.4
|
39.1
|
0.7
|
HZ
|
A:PHE75
|
4.4
|
21.8
|
0.3
|
CD1
|
A:PHE75
|
4.5
|
19.1
|
0.7
|
CZ
|
A:PHE75
|
4.5
|
18.1
|
0.3
|
C3
|
A:LVF202
|
4.5
|
22.9
|
0.3
|
O
|
A:THR78
|
4.5
|
15.5
|
0.7
|
C
|
A:PHE79
|
4.5
|
11.9
|
0.3
|
HG22
|
A:THR78
|
4.5
|
21.5
|
0.3
|
H1
|
A:LVF201
|
4.6
|
26.7
|
0.3
|
CG
|
A:PHE79
|
4.6
|
21.8
|
0.7
|
O
|
A:PHE75
|
4.7
|
16.6
|
0.3
|
CE2
|
A:PHE75
|
4.7
|
15.6
|
0.3
|
CD2
|
A:PHE75
|
4.7
|
24.6
|
0.7
|
CE2
|
A:PHE79
|
4.7
|
12.1
|
0.3
|
HA
|
A:THR112
|
4.7
|
26.7
|
0.7
|
O
|
A:PHE79
|
4.8
|
13.0
|
0.3
|
HE2
|
A:PHE75
|
4.8
|
18.7
|
0.3
|
HG23
|
A:THR78
|
4.8
|
30.8
|
0.7
|
O
|
A:PHE75
|
4.8
|
20.2
|
0.7
|
CB
|
A:THR78
|
4.8
|
18.7
|
0.7
|
HG13
|
A:VAL111
|
4.8
|
31.3
|
0.7
|
CG1
|
A:VAL111
|
4.8
|
26.1
|
0.7
|
H6
|
A:LVF202
|
4.8
|
32.2
|
0.3
|
HA
|
A:THR112
|
4.8
|
17.6
|
0.3
|
CE1
|
A:PHE75
|
4.9
|
26.3
|
0.3
|
N1
|
A:LVF201
|
4.9
|
17.9
|
0.3
|
HE2
|
A:PHE79
|
4.9
|
14.6
|
0.3
|
O
|
A:VAL111
|
4.9
|
25.2
|
0.7
|
CG
|
A:PHE75
|
4.9
|
15.7
|
0.7
|
HD1
|
A:PHE75
|
5.0
|
22.9
|
0.7
|
|
Reference:
G.J.Correy,
J.S.Fraser.
Fragment Screen Against Able To Be Published.
Page generated: Tue Aug 26 20:00:42 2025
|