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Chlorine in PDB 5qjw: Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT5 in Complex with Z198194396

Enzymatic activity of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT5 in Complex with Z198194396

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 Z198194396:
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 Z198194396, PDB code: 5qjw 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) 78.13 / 1.57
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 49.535, 59.991, 80.050, 79.16, 81.16, 75.31
R / Rfree (%) 23.2 / 26.7

Other elements in 5qjw:

The structure of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT5 in Complex with Z198194396 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 Z198194396 (pdb code 5qjw). 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 Z198194396, PDB code: 5qjw:

Chlorine binding site 1 out of 1 in 5qjw

Go back to Chlorine Binding Sites List in 5qjw
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 Z198194396


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 Z198194396 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:66.9
occ:1.00
CG2 B:VAL67 4.1 28.5 1.0
CG2 B:THR145 4.1 28.9 1.0
CG A:HIS206 4.2 26.1 1.0
ND1 A:HIS206 4.2 30.5 1.0
CE1 A:HIS206 4.4 24.4 1.0
CD2 A:HIS206 4.4 22.3 1.0
NE2 A:HIS206 4.5 24.9 1.0
CG2 B:THR147 4.5 33.3 1.0
CG1 B:VAL67 4.6 26.7 1.0
CB A:HIS206 4.7 24.2 1.0
CB B:VAL67 4.7 25.6 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 Dec 12 12:18:04 2020

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