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Chlorine in PDB 2aaq: Crystal Structure Analysis of the Human Glutahione Reductase, Complexed with Gopi

Enzymatic activity of Crystal Structure Analysis of the Human Glutahione Reductase, Complexed with Gopi

All present enzymatic activity of Crystal Structure Analysis of the Human Glutahione Reductase, Complexed with Gopi:
1.8.1.7;

Protein crystallography data

The structure of Crystal Structure Analysis of the Human Glutahione Reductase, Complexed with Gopi, PDB code: 2aaq was solved by S.Urig, K.Fritz-Wolf, R.Reau, C.Herold-Mende, K.Toth, E.Davioud-Charvet, K.Becker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 14.98 / 2.60
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 120.310, 62.720, 83.990, 90.00, 122.47, 90.00
R / Rfree (%) 20.1 / 25.9

Other elements in 2aaq:

The structure of Crystal Structure Analysis of the Human Glutahione Reductase, Complexed with Gopi also contains other interesting chemical elements:

Gold (Au) 2 atoms
Potassium (K) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure Analysis of the Human Glutahione Reductase, Complexed with Gopi (pdb code 2aaq). 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 Crystal Structure Analysis of the Human Glutahione Reductase, Complexed with Gopi, PDB code: 2aaq:

Chlorine binding site 1 out of 1 in 2aaq

Go back to Chlorine Binding Sites List in 2aaq
Chlorine binding site 1 out of 1 in the Crystal Structure Analysis of the Human Glutahione Reductase, Complexed with Gopi


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure Analysis of the Human Glutahione Reductase, Complexed with Gopi within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl700

b:51.8
occ:1.00
 O A:HOH946 2.5 41.5 1.0
CD A:LYS53 3.1 60.5 1.0
N A:LEU54 3.6 46.3 1.0
CA A:LYS53 3.9 50.5 1.0
NZ A:LYS53 3.9 64.0 1.0
CE A:LYS53 4.1 62.9 1.0
CB A:LYS53 4.2 53.0 1.0
CG A:LYS53 4.3 57.3 1.0
C A:LYS53 4.3 48.2 1.0
CB A:LEU54 4.5 45.0 1.0
CG A:LEU54 4.6 45.9 1.0
CA A:LEU54 4.7 45.3 1.0
O A:HIS52 4.7 51.1 1.0
NH2 A:ARG127 4.9 59.1 1.0
O A:LEU54 5.0 45.7 1.0

Reference:

S.Urig, K.Fritz-Wolf, R.Reau, C.Herold-Mende, K.Toth, E.Davioud-Charvet, K.Becker. Undressing of Phosphine Gold(I) Complexes As Irreversible Inhibitors of Human Disulfide Reductases. Angew.Chem.Int.Ed.Engl. V. 45 1881 2006.
ISSN: ISSN 1433-7851
PubMed: 16493712
DOI: 10.1002/ANIE.200502756
Page generated: Sat Jul 20 05:11:16 2024

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