Atomistry » Chlorine » PDB 5qhx-5qjn » 5qhy
Atomistry »
  Chlorine »
    PDB 5qhx-5qjn »
      5qhy »

Chlorine in PDB 5qhy: Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human PARP14 Macrodomain 3 in Complex with FMOPL000462A

Enzymatic activity of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human PARP14 Macrodomain 3 in Complex with FMOPL000462A

All present enzymatic activity of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human PARP14 Macrodomain 3 in Complex with FMOPL000462A:
2.4.2.30;

Protein crystallography data

The structure of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human PARP14 Macrodomain 3 in Complex with FMOPL000462A, PDB code: 5qhy was solved by M.Schuller, R.Talon, T.Krojer, J.Brandao-Neto, A.Douangamath, R.Zhang, F.Von Delft, H.Schuler, B.Kessler, S.Knapp, C.Bountra, C.H.Arrowsmith, A.Edwards, J.Elkins, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 55.57 / 1.17
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 34.341, 41.653, 111.018, 90.00, 90.00, 90.00
R / Rfree (%) 15 / 18.6

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human PARP14 Macrodomain 3 in Complex with FMOPL000462A (pdb code 5qhy). 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 of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human PARP14 Macrodomain 3 in Complex with FMOPL000462A, PDB code: 5qhy:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 5qhy

Go back to Chlorine Binding Sites List in 5qhy
Chlorine binding site 1 out of 2 in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human PARP14 Macrodomain 3 in Complex with FMOPL000462A


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 of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human PARP14 Macrodomain 3 in Complex with FMOPL000462A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1401

b:23.4
occ:1.00
 OG A:SER1247 3.2 13.8 1.0
N A:ALA1336 3.6 16.8 1.0
O A:HOH1593 3.7 30.6 1.0
CA A:GLY1332 3.7 15.7 1.0
C1 A:GT41404 3.7 16.7 0.5
N A:ASN1335 3.7 18.4 1.0
O A:HOH1607 3.8 35.3 1.0
N A:GLY1332 3.9 14.0 1.0
O1 A:GT41404 3.9 17.7 0.5
CB A:ALA1336 3.9 17.8 1.0
CA A:GLY1303 3.9 13.7 1.0
C A:GLY1332 4.0 13.4 1.0
N A:GLY1334 4.0 15.3 1.0
C A:GLY1334 4.1 19.5 1.0
CB A:SER1247 4.2 13.8 1.0
CA A:GLY1334 4.3 19.2 1.0
O A:SER1247 4.3 15.8 1.0
CB A:ASN1335 4.3 24.8 1.0
O A:GLY1332 4.4 16.1 1.0
CA A:ASN1335 4.4 20.1 1.0
CA A:ALA1336 4.4 16.0 1.0
C A:ASN1335 4.5 18.9 1.0
N A:THR1333 4.5 12.7 1.0
O A:HOH1584 4.6 32.1 1.0
C A:SER1247 4.6 13.1 1.0
C A:GLY1303 4.7 14.3 1.0
N A:GLY1303 4.8 13.0 1.0
O A:GLY1334 5.0 19.1 1.0
CA A:SER1247 5.0 12.4 1.0
O A:GLY1303 5.0 14.7 1.0

Chlorine binding site 2 out of 2 in 5qhy

Go back to Chlorine Binding Sites List in 5qhy
Chlorine binding site 2 out of 2 in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human PARP14 Macrodomain 3 in Complex with FMOPL000462A


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 of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of Human PARP14 Macrodomain 3 in Complex with FMOPL000462A within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1402

b:12.1
occ:1.00
 O A:HOH1558 3.3 14.2 1.0
O A:HOH1626 3.3 15.8 1.0
N A:PHE1371 3.4 13.1 1.0
N A:ALA1330 3.4 11.4 1.0
N1 A:GT41404 3.5 18.3 0.5
C2 A:GT41404 3.5 15.1 0.5
CB A:ALA1330 3.9 12.7 1.0
CA A:ILE1370 3.9 12.5 1.0
CB A:PRO1329 4.0 11.8 1.0
CB A:PHE1371 4.0 15.6 1.0
C3 A:GT41404 4.0 16.9 0.5
CA A:ALA1330 4.1 11.2 1.0
C A:ILE1370 4.2 13.4 1.0
CG2 A:VAL1258 4.2 20.3 0.5
CA A:PRO1329 4.3 10.2 1.0
O A:VAL1369 4.3 13.1 1.0
CA A:PHE1371 4.3 14.4 1.0
C A:PRO1329 4.3 10.6 1.0
C4 A:GT41404 4.4 18.6 0.5
CG2 A:ILE1370 4.5 13.5 1.0
O A:ALA1330 4.5 12.8 1.0
OG1 A:THR1333 4.5 15.1 1.0
C9 A:GT41404 4.6 18.9 0.5
O1 A:GT41404 4.6 17.7 0.5
C A:ALA1330 4.6 11.7 1.0
O A:HOH1599 4.7 23.4 1.0
CB A:ILE1370 4.7 12.9 1.0
C1 A:GT41404 4.9 16.7 0.5
N A:ILE1370 5.0 11.9 1.0

Reference:

M.Schuller, R.Talon, T.Krojer, J.Brandao-Neto, A.Douangamath, R.Zhang, F.Von Delft, H.Schuler, B.Kessler, S.Knapp, C.Bountra, C.H.Arrowsmith, A.Edwards, J.Elkins. Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) To Be Published.
Page generated: Sat Jul 12 07:38:55 2025

Last articles

Mg in 5M3U
Mg in 5M4K
Mg in 5M41
Mg in 5M1T
Mg in 5M2T
Mg in 5M3F
Mg in 5LZQ
Mg in 5M2A
Mg in 5M1R
Mg in 5M1M
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy