Chlorine in PDB 5qtl: Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Gb-0804

The structure of Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Gb-0804, PDB code: 5qtl was solved by Y.Dubianok, T.Krojer, H.Kovacs, F.Moriaud, N.Wright, C.Strain-Damerell, N.Burgess-Brown, C.Bountra, C.H.Arrowsmith, A.Edwards, F.Von Delft, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	78.34 / 1.73
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	49.330, 59.820, 80.180, 79.34, 81.47, 75.65
R / Rfree (%)	22.1 / 25.3

The structure of Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Gb-0804 also contains other interesting chemical elements:

Fluorine	(F)	12 atoms
Magnesium	(Mg)	8 atoms

The binding sites of Chlorine atom in the Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Gb-0804 (pdb code 5qtl). 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 Gb-0804, PDB code: 5qtl:

Chlorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Gb-0804


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 Gb-0804 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl303 b:67.7 occ:1.00 CG2 B:VAL67 4.0 35.7 1.0 CG2 B:THR145 4.1 29.8 1.0 O B:HOH609 4.1 35.0 1.0 CG A:HIS206 4.3 31.6 1.0 ND1 A:HIS206 4.3 32.4 1.0 CG2 B:THR147 4.4 35.6 1.0 CD2 A:HIS206 4.5 25.4 1.0 CE1 A:HIS206 4.5 27.7 1.0 NE2 A:HIS206 4.6 30.5 1.0 CB B:VAL67 4.6 32.3 1.0 CG1 B:VAL67 4.7 33.1 1.0 CB A:HIS206 4.8 28.2 1.0

Y.Dubianok, T.Krojer, H.Kovacs, F.Moriaud, N.Wright, C.Strain-Damerell, N.Burgess-Brown, C.Bountra, C.H.Arrowsmith, A.Edwards, F.Von Delft. Pandda Analysis Group Deposition To Be Published.