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Chlorine in PDB 5qk6: Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT5 in Complex with Z1343633025

Enzymatic activity of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT5 in Complex with Z1343633025

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 Z1343633025:
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 Z1343633025, PDB code: 5qk6 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) 78.45 / 1.51
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 49.260, 59.800, 80.310, 79.26, 81.50, 75.67
R / Rfree (%) 22.7 / 25.5

Other elements in 5qk6:

The structure of Pandda Analysis Group Deposition of Models with Modelled Events (E.G. Bound Ligands) -- Crystal Structure of NUDT5 in Complex with Z1343633025 also contains other interesting chemical elements:

Fluorine (F) 1 atom
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 Z1343633025 (pdb code 5qk6). 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 Z1343633025, PDB code: 5qk6:

Chlorine binding site 1 out of 1 in 5qk6

Go back to Chlorine Binding Sites List in 5qk6
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 Z1343633025


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 Z1343633025 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:66.0
occ:1.00
CG2 B:THR145 3.9 26.5 1.0
CG2 B:THR147 4.0 32.0 1.0
CG2 B:VAL67 4.2 25.4 1.0
ND1 A:HIS206 4.6 28.7 1.0
CE1 A:HIS206 4.6 22.3 1.0
CB B:VAL67 4.6 26.9 1.0
CG1 B:VAL67 4.7 28.8 1.0
CG A:HIS206 4.7 25.8 1.0
NE2 A:HIS206 4.8 27.3 1.0
CD2 A:HIS206 4.8 21.8 1.0
CB B:ALA124 4.9 28.5 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 Dec 12 12:18:11 2020

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