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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

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