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Chlorine in PDB 5qtq: Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Fs-1169

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Fs-1169

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Fs-1169:
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 Fs-1169, PDB code: 5qtq 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) 47.30 / 1.82
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 48.998, 59.703, 80.195, 79.38, 81.67, 75.86
R / Rfree (%) 21.1 / 25

Other elements in 5qtq:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Fs-1169 also contains other interesting chemical elements:

Fluorine (F) 4 atoms
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 Fs-1169 (pdb code 5qtq). 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 Fs-1169, PDB code: 5qtq:

Chlorine binding site 1 out of 1 in 5qtq

Go back to Chlorine Binding Sites List in 5qtq
Chlorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Fs-1169


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 Fs-1169 within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl301

b:62.7
occ:1.00
CG2 B:THR147 4.0 32.2 1.0
CG2 B:THR145 4.1 27.1 1.0
CG2 B:VAL67 4.1 29.8 1.0
CB B:VAL67 4.6 28.4 1.0
CG1 B:VAL67 4.6 30.9 1.0
ND1 A:HIS206 4.7 30.8 1.0
CE1 A:HIS206 4.8 26.2 1.0
CG A:HIS206 4.8 28.4 1.0
NE2 A:HIS206 4.9 28.6 1.0
CD2 A:HIS206 4.9 23.0 1.0
CB B:ALA124 5.0 35.9 1.0

Reference:

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.
Page generated: Sat Jul 12 07:46:15 2025

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