Atomistry » Chlorine » PDB 5rmj-5s33 » 5rt6
Atomistry »
  Chlorine »
    PDB 5rmj-5s33 »
      5rt6 »

Chlorine in PDB 5rt6: Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000000156509

Enzymatic activity of Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000000156509

All present enzymatic activity of Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000000156509:
3.4.19.12;

Protein crystallography data

The structure of Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000000156509, PDB code: 5rt6 was solved by G.J.Correy, I.D.Young, M.C.Thompson, J.S.Fraser, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 39.60 / 1.00
Space group P 43
Cell size a, b, c (Å), α, β, γ (°) 88.554, 88.554, 39.286, 90.00, 90.00, 90.00
R / Rfree (%) 16.7 / 18.2

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000000156509 (pdb code 5rt6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000000156509, PDB code: 5rt6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5rt6

Go back to Chlorine Binding Sites List in 5rt6
Chlorine binding site 1 out of 2 in the Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000000156509


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 Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000000156509 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:13.4
occ:0.75
CLL A:05R201 0.0 13.4 0.8
CBK A:05R201 1.7 12.8 0.8
CBJ A:05R201 2.6 12.4 0.8
CBM A:05R201 2.6 12.1 0.8
HBJ A:05R201 2.6 14.9 0.8
H A:VAL49 2.8 13.6 1.0
HG23 A:VAL49 3.0 15.4 1.0
CLN A:05R201 3.0 14.9 0.8
HE1 A:PHE132 3.2 17.9 1.0
HD1 A:PHE132 3.3 16.6 1.0
O A:HOH341 3.3 13.2 1.0
HB A:VAL49 3.4 14.3 1.0
HB3 A:ALA38 3.4 13.9 1.0
HA3 A:GLY48 3.6 14.3 1.0
N A:VAL49 3.7 11.3 1.0
HB1 A:ALA38 3.7 13.9 1.0
CG2 A:VAL49 3.7 12.8 1.0
CE1 A:PHE132 3.8 14.9 1.0
CD1 A:PHE132 3.8 13.8 1.0
HG12 A:ILE131 3.8 18.4 1.0
HG21 A:VAL49 3.9 15.4 1.0
CBO A:05R201 3.9 11.6 0.8
CBI A:05R201 3.9 12.3 0.8
CB A:ALA38 3.9 11.6 1.0
CB A:VAL49 4.0 11.9 1.0
HB2 A:ALA38 4.1 13.9 1.0
CA A:GLY48 4.3 11.9 1.0
HA2 A:GLY48 4.4 14.3 1.0
O A:HOH445 4.4 20.7 1.0
CBH A:05R201 4.4 11.5 0.8
O A:ALA129 4.5 14.6 1.0
H A:ILE131 4.5 16.1 1.0
CA A:VAL49 4.5 11.0 1.0
C A:GLY48 4.5 11.6 1.0
HG13 A:ILE131 4.5 18.4 1.0
HG22 A:VAL49 4.6 15.4 1.0
HBO A:05R201 4.6 14.0 0.8
CG1 A:ILE131 4.6 15.3 1.0
HBI A:05R201 4.6 14.8 0.8
H A:ALA50 4.8 12.6 1.0
HA3 A:GLY130 4.8 16.6 1.0
H A:PHE132 4.9 15.2 1.0
O A:HOH429 4.9 11.9 1.0
CZ A:PHE132 5.0 15.1 1.0

Chlorine binding site 2 out of 2 in 5rt6

Go back to Chlorine Binding Sites List in 5rt6
Chlorine binding site 2 out of 2 in the Crystal Structure of Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000000156509


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 Sars-Cov-2 NSP3 Macrodomain in Complex with ZINC000000156509 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl201

b:14.9
occ:0.75
CLN A:05R201 0.0 14.9 0.8
CBM A:05R201 1.7 12.1 0.8
CBO A:05R201 2.6 11.6 0.8
CBK A:05R201 2.6 12.8 0.8
HBO A:05R201 2.7 14.0 0.8
CLL A:05R201 3.0 13.4 0.8
HG12 A:ILE131 3.1 18.4 1.0
H A:ILE131 3.1 16.1 1.0
HA2 A:GLY48 3.2 14.3 1.0
HA3 A:GLY130 3.4 16.6 1.0
HG23 A:ILE131 3.5 15.9 1.0
HA3 A:GLY48 3.5 14.3 1.0
H A:VAL49 3.7 13.6 1.0
CA A:GLY48 3.8 11.9 1.0
CBJ A:05R201 3.8 12.4 0.8
CBH A:05R201 3.9 11.5 0.8
HG23 A:VAL49 3.9 15.4 1.0
N A:ILE131 4.0 13.4 1.0
CG1 A:ILE131 4.0 15.3 1.0
N A:VAL49 4.3 11.3 1.0
CG2 A:ILE131 4.3 13.3 1.0
CA A:GLY130 4.4 13.8 1.0
CBI A:05R201 4.4 12.3 0.8
HD13 A:ILE131 4.4 19.3 1.0
C A:GLY48 4.5 11.6 1.0
HBJ A:05R201 4.5 14.9 0.8
HG13 A:ILE131 4.6 18.4 1.0
CB A:ILE131 4.6 13.3 1.0
CD1 A:ILE131 4.7 16.0 1.0
C A:GLY130 4.7 13.5 1.0
HG21 A:ILE131 4.7 15.9 1.0
HA2 A:GLY130 4.8 16.6 1.0
HD11 A:ILE131 4.8 19.3 1.0
CG2 A:VAL49 4.9 12.8 1.0
CA A:ILE131 4.9 12.5 1.0
O A:HOH316 4.9 24.0 1.0
N A:GLY48 5.0 12.7 1.0
O A:ALA129 5.0 14.6 1.0
HD1 A:PHE132 5.0 16.6 1.0
HG22 A:ILE131 5.0 15.9 1.0

Reference:

C.J.Correy, J.S.Fraser. Fragment Screen Against Sars-Cov-2 Nsp Macrodomain To Be Published.
Page generated: Sat Jul 12 08:14:35 2025

Last articles

Mn in 2QF2
Mn in 2QGI
Mn in 2QEY
Mn in 2QF1
Mn in 2QCS
Mn in 2PYO
Mn in 2QEW
Mn in 2QB0
Mn in 2QB5
Mn in 2QB6
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy