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Chlorine in PDB 5qj5: Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Z44592329

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Z44592329

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Z44592329:
2.7.7.96; 3.6.1.13; 3.6.1.58;

Protein crystallography data

The structure of Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Z44592329, PDB code: 5qj5 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) 78.34 / 1.72
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 49.146, 59.774, 80.086, 79.47, 81.89, 75.78
R / Rfree (%) 21.5 / 25.3

Other elements in 5qj5:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Z44592329 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 -- Crystal Structure of NUDT5 in Complex with Z44592329 (pdb code 5qj5). 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 -- Crystal Structure of NUDT5 in Complex with Z44592329, PDB code: 5qj5:

Chlorine binding site 1 out of 1 in 5qj5

Go back to Chlorine Binding Sites List in 5qj5
Chlorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Z44592329


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 -- Crystal Structure of NUDT5 in Complex with Z44592329 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:70.1
occ:1.00
O B:HOH415 4.0 38.3 1.0
CG2 B:THR145 4.1 26.9 1.0
CG2 B:VAL67 4.2 32.9 1.0
CG2 B:THR147 4.2 37.8 1.0
CG1 B:VAL67 4.5 31.2 1.0
ND1 A:HIS206 4.5 36.0 1.0
CG A:HIS206 4.5 29.5 1.0
CB B:VAL67 4.6 31.7 1.0
CE1 A:HIS206 4.6 28.2 1.0
CD2 A:HIS206 4.7 25.0 1.0
NE2 A:HIS206 4.7 33.3 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 To Be Published.
Page generated: Sat Dec 12 12:17:45 2020

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