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Chlorine in PDB 1m9j: Human Endothelial Nitric Oxide Synthase with Chlorzoxazone Bound

Enzymatic activity of Human Endothelial Nitric Oxide Synthase with Chlorzoxazone Bound

All present enzymatic activity of Human Endothelial Nitric Oxide Synthase with Chlorzoxazone Bound:
1.14.13.39;

Protein crystallography data

The structure of Human Endothelial Nitric Oxide Synthase with Chlorzoxazone Bound, PDB code: 1m9j was solved by R.J.Rosenfeld, E.D.Garcin, K.Panda, G.Andersson, A.Aberg, A.V.Wallace, D.J.Stuehr, J.A.Tainer, E.D.Getzoff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 20.00 / 2.43
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 71.071, 89.891, 155.833, 90.00, 90.00, 90.00
R / Rfree (%) 21.6 / 27.2

Other elements in 1m9j:

The structure of Human Endothelial Nitric Oxide Synthase with Chlorzoxazone Bound also contains other interesting chemical elements:

Iron (Fe) 2 atoms
Zinc (Zn) 1 atom

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Human Endothelial Nitric Oxide Synthase with Chlorzoxazone Bound (pdb code 1m9j). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Human Endothelial Nitric Oxide Synthase with Chlorzoxazone Bound, PDB code: 1m9j:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in 1m9j

Go back to Chlorine Binding Sites List in 1m9j
Chlorine binding site 1 out of 2 in the Human Endothelial Nitric Oxide Synthase with Chlorzoxazone Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Endothelial Nitric Oxide Synthase with Chlorzoxazone Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl906

b:35.5
occ:1.00
CL1 A:CLW906 0.0 35.5 1.0
C6 A:CLW906 1.7 33.5 1.0
C1 A:CLW906 2.7 35.4 1.0
C5 A:CLW906 2.8 33.1 1.0
C1C A:HEM901 3.5 33.2 1.0
NC A:HEM901 3.5 33.2 1.0
CD1 A:PHE353 3.5 31.8 1.0
CE1 A:PHE353 3.7 31.1 1.0
C4C A:HEM901 3.8 31.9 1.0
C2C A:HEM901 3.8 32.7 1.0
N A:GLY355 3.8 32.4 1.0
CA A:SER354 3.8 28.5 1.0
CHC A:HEM901 4.0 32.8 1.0
O A:PRO334 4.0 34.8 1.0
O A:PHE353 4.0 30.1 1.0
C3C A:HEM901 4.0 31.2 1.0
C2 A:CLW906 4.1 34.6 1.0
C A:SER354 4.1 30.3 1.0
C4 A:CLW906 4.2 34.3 1.0
N A:SER354 4.3 28.4 1.0
CHD A:HEM901 4.4 33.6 1.0
C A:PHE353 4.4 29.1 1.0
FE A:HEM901 4.5 35.8 1.0
C4B A:HEM901 4.5 33.3 1.0
CMC A:HEM901 4.6 31.5 1.0
NB A:HEM901 4.6 34.1 1.0
C3 A:CLW906 4.6 34.4 1.0
CG2 A:VAL336 4.6 36.6 1.0
CA A:GLY355 4.7 33.5 1.0
N A:VAL336 4.8 35.8 1.0
ND A:HEM901 4.8 36.9 1.0
CG A:PHE353 4.8 29.0 1.0
C A:PRO334 4.8 34.5 1.0
C1D A:HEM901 4.8 36.0 1.0
CAC A:HEM901 4.9 29.1 1.0
O A:SER354 5.0 29.2 1.0

Chlorine binding site 2 out of 2 in 1m9j

Go back to Chlorine Binding Sites List in 1m9j
Chlorine binding site 2 out of 2 in the Human Endothelial Nitric Oxide Synthase with Chlorzoxazone Bound


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Human Endothelial Nitric Oxide Synthase with Chlorzoxazone Bound within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl907

b:33.6
occ:1.00
CL1 B:CLW907 0.0 33.6 1.0
C6 B:CLW907 1.7 32.9 1.0
C1 B:CLW907 2.7 34.0 1.0
C5 B:CLW907 2.8 32.2 1.0
C1C B:HEM901 3.5 34.0 1.0
NC B:HEM901 3.5 34.7 1.0
CD1 B:PHE353 3.7 32.3 1.0
N B:GLY355 3.7 26.7 1.0
CE1 B:PHE353 3.8 32.8 1.0
CHC B:HEM901 3.8 34.9 1.0
CA B:SER354 3.9 24.9 1.0
O B:PRO334 3.9 25.0 1.0
C2C B:HEM901 3.9 34.9 1.0
C4C B:HEM901 4.0 34.5 1.0
C B:SER354 4.0 26.5 1.0
C2 B:CLW907 4.1 31.3 1.0
C4 B:CLW907 4.1 31.8 1.0
O B:PHE353 4.2 30.2 1.0
C3C B:HEM901 4.2 35.0 1.0
C4B B:HEM901 4.3 36.0 1.0
NB B:HEM901 4.4 35.8 1.0
N B:SER354 4.4 27.3 1.0
FE B:HEM901 4.5 33.5 1.0
C B:PHE353 4.6 28.8 1.0
CA B:GLY355 4.6 27.2 1.0
C3 B:CLW907 4.6 32.1 1.0
CMC B:HEM901 4.6 32.2 1.0
CG2 B:VAL336 4.6 27.0 1.0
CHD B:HEM901 4.6 36.0 1.0
ND B:HEM901 4.7 36.6 1.0
C B:PRO334 4.8 25.1 1.0
N B:VAL336 4.8 27.3 1.0
O B:SER354 4.9 26.0 1.0
CG B:PHE353 4.9 29.8 1.0
C1D B:HEM901 5.0 36.2 1.0

Reference:

R.J.Rosenfeld, E.D.Garcin, K.Panda, G.Andersson, A.Aberg, A.V.Wallace, G.M.Morris, A.J.Olson, D.J.Stuehr, J.A.Tainer, E.D.Getzoff. Conformational Changes in Nitric Oxide Synthases Induced By Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry V. 41 13915 2002.
ISSN: ISSN 0006-2960
PubMed: 12437348
DOI: 10.1021/BI026313J
Page generated: Sat Dec 12 08:42:34 2020

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