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Chlorine in PDB 5qjn: Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT5 in Complex with Z1439422127

Enzymatic activity of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT5 in Complex with Z1439422127

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 Z1439422127:
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 Z1439422127, PDB code: 5qjn 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) 78.02 / 1.77
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 49.450, 59.880, 79.890, 79.29, 81.26, 75.44
R / Rfree (%) 22.9 / 27.3

Other elements in 5qjn:

The structure of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT5 in Complex with Z1439422127 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 Z1439422127 (pdb code 5qjn). 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 Z1439422127, PDB code: 5qjn:

Chlorine binding site 1 out of 1 in 5qjn

Go back to Chlorine Binding Sites List in 5qjn
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 Z1439422127


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 Z1439422127 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:70.3
occ:1.00
CG2 B:VAL67 4.0 29.6 1.0
CG2 B:THR145 4.1 30.2 1.0
CG2 B:THR147 4.3 37.5 1.0
ND1 A:HIS206 4.4 35.4 1.0
CG A:HIS206 4.4 31.5 1.0
CG1 B:VAL67 4.5 29.0 1.0
CB B:VAL67 4.6 29.0 1.0
CE1 A:HIS206 4.6 30.8 1.0
CD2 A:HIS206 4.6 24.9 1.0
NE2 A:HIS206 4.7 31.0 1.0
CB A:HIS206 4.9 29.6 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 12:17:58 2020

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