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Chlorine in PDB 5qtm: Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Fs-2639

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Fs-2639

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Fs-2639:
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-2639, PDB code: 5qtm 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) 47.50 / 1.79
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 49.270, 59.808, 80.068, 79.33, 81.48, 75.66
R / Rfree (%) 21.4 / 24.7

Other elements in 5qtm:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Fs-2639 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-2639 (pdb code 5qtm). 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-2639, PDB code: 5qtm:

Chlorine binding site 1 out of 1 in 5qtm

Go back to Chlorine Binding Sites List in 5qtm
Chlorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with Fs-2639


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-2639 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:69.9
occ:1.00
CG2 B:THR145 4.1 26.0 1.0
CG2 B:VAL67 4.1 29.3 1.0
ND1 A:HIS206 4.3 31.0 1.0
CG2 B:THR147 4.4 31.3 1.0
CG A:HIS206 4.4 26.9 1.0
CE1 A:HIS206 4.4 25.1 1.0
CD2 A:HIS206 4.6 24.2 1.0
NE2 A:HIS206 4.6 26.4 1.0
CG1 B:VAL67 4.6 28.2 1.0
CB B:VAL67 4.6 28.4 1.0
CB A:HIS206 4.9 25.5 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 Dec 12 12:18:41 2020

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