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Chlorine in PDB 4cf6: Crystal Structure of the Complex of the P187S Variant of Human Nad(P)H:Quinone Oxidoreductase with Cibacron Blue at 2.7 A Resolution

Enzymatic activity of Crystal Structure of the Complex of the P187S Variant of Human Nad(P)H:Quinone Oxidoreductase with Cibacron Blue at 2.7 A Resolution

All present enzymatic activity of Crystal Structure of the Complex of the P187S Variant of Human Nad(P)H:Quinone Oxidoreductase with Cibacron Blue at 2.7 A Resolution:
1.6.5.2;

Protein crystallography data

The structure of Crystal Structure of the Complex of the P187S Variant of Human Nad(P)H:Quinone Oxidoreductase with Cibacron Blue at 2.7 A Resolution, PDB code: 4cf6 was solved by W.D.Lienhart, V.Gudipati, M.K.Uhl, A.Binter, S.Pulido, R.Saf, K.Zangger, K.Gruber, P.Macheroux, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.217 / 2.69
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 104.167, 104.563, 118.566, 90.00, 90.00, 90.00
R / Rfree (%) 18.47 / 20.74

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the Complex of the P187S Variant of Human Nad(P)H:Quinone Oxidoreductase with Cibacron Blue at 2.7 A Resolution (pdb code 4cf6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the Complex of the P187S Variant of Human Nad(P)H:Quinone Oxidoreductase with Cibacron Blue at 2.7 A Resolution, PDB code: 4cf6:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 4cf6

Go back to Chlorine Binding Sites List in 4cf6
Chlorine binding site 1 out of 2 in the Crystal Structure of the Complex of the P187S Variant of Human Nad(P)H:Quinone Oxidoreductase with Cibacron Blue at 2.7 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the Complex of the P187S Variant of Human Nad(P)H:Quinone Oxidoreductase with Cibacron Blue at 2.7 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1275

b:64.9
occ:0.86
 CL A:CBD1275 0.0 64.9 0.9
CC2 A:CBD1275 1.7 64.0 0.9
NC1 A:CBD1275 2.7 62.4 0.9
NC3 A:CBD1275 2.7 62.2 0.9
CD2 B:TYR129 3.6 53.0 1.0
CE2 B:TYR129 3.9 50.2 1.0
CC4 A:CBD1275 3.9 61.6 0.9
CC6 A:CBD1275 3.9 60.4 0.9
NC5 A:CBD1275 4.4 60.4 0.9
CG B:TYR129 4.7 50.5 1.0
CZ B:PHE233 4.7 58.6 1.0
CB3 A:CBD1275 4.7 51.9 0.9

Chlorine binding site 2 out of 2 in 4cf6

Go back to Chlorine Binding Sites List in 4cf6
Chlorine binding site 2 out of 2 in the Crystal Structure of the Complex of the P187S Variant of Human Nad(P)H:Quinone Oxidoreductase with Cibacron Blue at 2.7 A Resolution


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the Complex of the P187S Variant of Human Nad(P)H:Quinone Oxidoreductase with Cibacron Blue at 2.7 A Resolution within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1276

b:63.5
occ:0.75
 CL B:CBD1276 0.0 63.5 0.8
CC2 B:CBD1276 1.7 61.0 0.8
NC3 B:CBD1276 2.7 61.0 0.8
NC1 B:CBD1276 2.7 61.5 0.8
CB A:PHE233 3.5 62.6 1.0
O A:PHE233 3.6 63.2 1.0
O2B B:CBD1276 3.8 61.9 0.8
CC4 B:CBD1276 3.9 58.9 0.8
CC6 B:CBD1276 3.9 60.3 0.8
C A:PHE233 4.1 63.2 1.0
NC5 B:CBD1276 4.4 58.0 0.8
CA A:PHE233 4.4 62.2 1.0
CG A:PHE233 4.5 62.7 1.0
CD2 A:PHE233 4.8 62.7 1.0
N A:GLN234 4.9 61.7 1.0

Reference:

W.D.Lienhart, V.Gudipati, M.K.Uhl, A.Binter, S.Pulido, R.Saf, K.Zangger, K.Gruber, P.Macheroux. Collapse of the Native Structure By A Single Amino Acid Exchange in Human Nad(P)H:Quinone Oxidoreductase (NQO1). Febs J. V. 281 4691 2014.
ISSN: ISSN 1742-464X
PubMed: 25143260
DOI: 10.1111/FEBS.12975
Page generated: Fri Jul 11 13:56:09 2025

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