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Chlorine in PDB 5qto: Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with 1R-0641

Enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with 1R-0641

All present enzymatic activity of Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with 1R-0641:
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 1R-0641, PDB code: 5qto 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) 41.52 / 1.67
Space group P 1
Cell size a, b, c (Å), α, β, γ (°) 49.260, 59.871, 79.887, 79.47, 81.46, 75.59
R / Rfree (%) 22.9 / 26.2

Other elements in 5qto:

The structure of Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with 1R-0641 also contains other interesting chemical elements:

Fluorine (F) 20 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 1R-0641 (pdb code 5qto). 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 1R-0641, PDB code: 5qto:

Chlorine binding site 1 out of 1 in 5qto

Go back to Chlorine Binding Sites List in 5qto
Chlorine binding site 1 out of 1 in the Pandda Analysis Group Deposition -- Crystal Structure of NUDT5 in Complex with 1R-0641


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 1R-0641 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl303

b:70.0
occ:1.00
CG A:HIS206 4.0 32.1 1.0
ND1 A:HIS206 4.1 33.6 1.0
CG2 B:VAL67 4.1 30.1 1.0
CD2 A:HIS206 4.2 28.1 1.0
CG2 B:THR145 4.2 29.4 1.0
CE1 A:HIS206 4.3 29.3 1.0
NE2 A:HIS206 4.4 31.1 1.0
CB A:HIS206 4.4 29.6 1.0
CG2 B:THR147 4.8 33.3 1.0
CB B:VAL67 4.8 29.0 1.0
CG1 B:VAL67 4.9 27.8 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 12:18:42 2020

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