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Chlorine in PDB 5qja: Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT5 in Complex with Z1497321453

Enzymatic activity of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT5 in Complex with Z1497321453

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 Z1497321453:
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 Z1497321453, PDB code: 5qja 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) 78.35 / 1.64
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 49.437, 59.840, 80.189, 79.33, 81.51, 75.50
R / Rfree (%) 22.5 / 25.7

Other elements in 5qja:

The structure of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT5 in Complex with Z1497321453 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 Z1497321453 (pdb code 5qja). 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 Z1497321453, PDB code: 5qja:

Chlorine binding site 1 out of 1 in 5qja

Go back to Chlorine Binding Sites List in 5qja
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 Z1497321453


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 Z1497321453 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:72.8
occ:1.00
CG2 B:THR145 4.1 25.9 1.0
CG2 B:VAL67 4.1 32.1 1.0
CG2 B:THR147 4.4 34.0 1.0
ND1 A:HIS206 4.5 27.1 1.0
CG A:HIS206 4.5 27.8 1.0
CE1 A:HIS206 4.6 23.6 1.0
CB B:VAL67 4.6 31.5 1.0
CG1 B:VAL67 4.6 30.1 1.0
CD2 A:HIS206 4.7 21.9 1.0
NE2 A:HIS206 4.8 25.6 1.0
CB A:HIS206 5.0 23.4 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 07:42:29 2025

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