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Chlorine in PDB 5qk8: Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT5 in Complex with Z1271660837

Enzymatic activity of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT5 in Complex with Z1271660837

All present enzymatic activity of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT5 in Complex with Z1271660837:
2.7.7.96; 3.6.1.13; 3.6.1.58;

Protein crystallography data

The structure of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT5 in Complex with Z1271660837, PDB code: 5qk8 was solved by Y.Dubianok, P.Collins, T.Krojer, N.Wright, C.Strain-Damerell, N.Burgess-Brown, C.Bountra, C.H.Arrowsmith, A.Edwards, K.Huber, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 78.20 / 1.71
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 49.270, 59.910, 80.011, 79.55, 81.38, 75.74
R / Rfree (%) 22.5 / 26

Other elements in 5qk8:

The structure of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT5 in Complex with Z1271660837 also contains other interesting chemical elements:

Magnesium (Mg) 8 atoms

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 NUDT5 in Complex with Z1271660837 (pdb code 5qk8). 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 of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT5 in Complex with Z1271660837, PDB code: 5qk8:

Chlorine binding site 1 out of 1 in 5qk8

Go back to Chlorine Binding Sites List in 5qk8
Chlorine binding site 1 out of 1 in the Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT5 in Complex with Z1271660837


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 NUDT5 in Complex with Z1271660837 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:68.3
occ:1.00
O B:HOH418 3.8 53.8 1.0
CG2 B:THR145 4.0 26.1 1.0
CG2 B:THR147 4.2 33.9 1.0
CG2 B:VAL67 4.2 32.9 1.0
ND1 A:HIS206 4.5 30.5 1.0
CG A:HIS206 4.5 28.1 1.0
CE1 A:HIS206 4.6 24.2 1.0
CD2 A:HIS206 4.7 23.5 1.0
CB B:VAL67 4.7 31.5 1.0
NE2 A:HIS206 4.7 26.8 1.0
CG1 B:VAL67 4.7 30.5 1.0

Reference:

Y.Dubianok, P.Collins, T.Krojer, N.Wright, C.Strain-Damerell, N.Burgess-Brown, C.Bountra, C.H.Arrowsmith, A.Edwards, K.Huber, F.Von Delft. Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) To Be Published.
Page generated: Sat Jul 12 07:44:30 2025

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