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Chlorine in PDB 5ssb: Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCMK000007RHKC

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCMK000007RHKC

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCMK000007RHKC:
3.4.19.121;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCMK000007RHKC, PDB code: 5ssb 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) 39.65 / 1.15
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 88.66, 88.66, 39.569, 90, 90, 90
R / Rfree (%) 13.6 / 15.7

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCMK000007RHKC (pdb code 5ssb). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCMK000007RHKC, PDB code: 5ssb:

Chlorine binding site 1 out of 1 in 5ssb

Go back to Chlorine Binding Sites List in 5ssb
Chlorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCMK000007RHKC


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 Sars-Cov-2 NSP3 Macrodomain in Complex with ZINCMK000007RHKC within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:28.2
occ:0.32
 CL15 A:RMU201 0.0 28.2 0.3
O A:HOH439 0.9 15.9 0.7
C14 A:RMU201 1.8 28.1 0.3
O A:HOH410 2.4 16.5 0.7
O A:HOH430 2.6 21.6 0.7
N13 A:RMU201 2.7 28.4 0.3
C16 A:RMU201 2.7 28.0 0.3
HD1 A:PHE132 2.8 23.3 0.3
HG12 A:ILE131 3.0 20.9 0.7
H A:VAL49 3.0 15.5 0.7
HE1 A:PHE132 3.0 22.8 0.3
HD1 A:PHE132 3.1 17.2 0.7
C17 A:RMU201 3.1 27.6 0.3
H A:ILE131 3.3 17.8 0.7
HA3 A:GLY48 3.3 17.6 0.7
H A:VAL49 3.4 16.1 0.3
CD1 A:PHE132 3.5 19.4 0.3
O A:HOH403 3.5 17.0 1.0
CE1 A:PHE132 3.5 19.0 0.3
HG23 A:VAL49 3.6 21.1 0.7
O A:ALA129 3.6 13.4 0.7
HA3 A:GLY130 3.6 18.6 0.7
HA3 A:GLY48 3.6 19.0 0.3
HG12 A:ILE131 3.7 23.9 0.3
H A:ILE131 3.7 21.0 0.3
HE1 A:PHE132 3.7 18.1 0.7
N18 A:RMU201 3.8 27.4 0.3
CD1 A:PHE132 3.8 14.4 0.7
N A:VAL49 3.8 13.0 0.7
CG1 A:ILE131 3.8 17.4 0.7
HG23 A:VAL49 3.8 17.0 0.3
O A:HOH363 3.8 20.9 0.7
H A:PHE132 3.9 16.1 0.7
HG13 A:ILE131 3.9 20.9 0.7
HB A:VAL49 3.9 18.2 0.7
N A:ILE131 3.9 14.8 0.7
HB3 A:ALA38 3.9 17.8 1.0
HB1 A:ALA38 3.9 17.8 1.0
C12 A:RMU201 3.9 28.4 0.3
C19 A:RMU201 4.0 28.2 0.3
CA A:GLY48 4.1 14.7 0.7
HA3 A:GLY130 4.1 22.5 0.3
CE1 A:PHE132 4.1 15.1 0.7
O A:ALA129 4.2 20.9 0.3
HB A:VAL49 4.2 15.6 0.3
HA2 A:GLY48 4.2 17.6 0.7
N A:VAL49 4.2 13.4 0.3
O A:HOH503 4.2 35.3 0.7
CB A:ALA38 4.3 14.9 1.0
O A:HOH481 4.3 39.2 0.7
H A:PHE132 4.3 21.8 0.3
CG2 A:VAL49 4.4 17.6 0.7
CA A:GLY130 4.4 15.6 0.7
N A:ILE131 4.4 17.6 0.3
CA A:GLY48 4.5 15.8 0.3
HD11 A:ILE131 4.5 23.4 0.7
C11 A:RMU201 4.5 28.5 0.3
HA2 A:GLY48 4.5 19.0 0.3
C A:ALA129 4.5 13.2 0.7
C A:GLY48 4.5 13.5 0.7
CB A:VAL49 4.5 15.2 0.7
HB2 A:ALA38 4.5 17.8 1.0
N A:PHE132 4.5 13.4 0.7
HG21 A:VAL49 4.6 21.1 0.7
HD13 A:ILE131 4.6 24.2 0.3
C A:GLY130 4.6 14.8 0.7
CG2 A:VAL49 4.6 14.2 0.3
CG1 A:ILE131 4.6 20.0 0.3
HG23 A:ILE131 4.6 21.6 0.7
CD1 A:ILE131 4.7 19.6 0.7
HG21 A:VAL49 4.7 17.0 0.3
HB2 A:PHE132 4.7 15.3 0.7
CG A:PHE132 4.7 20.0 0.3
CA A:ILE131 4.7 14.9 0.7
CB A:VAL49 4.8 13.1 0.3
H121 A:RMU201 4.8 34.1 0.3
CA A:VAL49 4.8 12.9 0.7
CB A:ILE131 4.8 16.7 0.7
H A:ALA50 4.8 14.2 0.7
CZ A:PHE132 4.8 19.4 0.3
HD13 A:ILE131 4.8 23.4 0.7
CG A:PHE132 4.8 12.9 0.7
N A:GLY130 4.9 14.5 0.7
HB2 A:PHE132 4.9 23.4 0.3
C A:GLY48 4.9 15.1 0.3
H191 A:RMU201 4.9 33.8 0.3
CA A:GLY130 4.9 18.8 0.3
N A:PHE132 4.9 18.2 0.3
CD1 A:ILE131 5.0 20.2 0.3
HD11 A:ILE131 5.0 24.2 0.3

Reference:

G.J.Correy, J.S.Fraser. Ligand Screen Against Sars-Cov-2 NSP3 Macrodomain To Be Published.
Page generated: Fri Jul 26 17:04:25 2024

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