Atomistry » Chlorine » PDB 1dhj-1e2y » 1dm6
Atomistry »
  Chlorine »
    PDB 1dhj-1e2y »
      1dm6 »

Chlorine in PDB 1dm6: Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free)

Enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free)

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free):
1.14.13.39;

Protein crystallography data

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free), PDB code: 1dm6 was solved by C.S.Raman, H.Li, P.Martasek, G.J.Southan, B.S.S.Masters, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 28.20 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.880, 106.430, 155.920, 90.00, 90.00, 90.00
R / Rfree (%) 22 / 25.5

Other elements in 1dm6:

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free) also contains other interesting chemical elements:

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

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free) (pdb code 1dm6). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 4 binding sites of Chlorine where determined in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free), PDB code: 1dm6:
Jump to Chlorine binding site number: 1; 2; 3; 4;

Chlorine binding site 1 out of 4 in 1dm6

Go back to Chlorine Binding Sites List in 1dm6
Chlorine binding site 1 out of 4 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl1780

b:42.9
occ:1.00
CL A:PH31780 0.0 42.9 1.0
C4 A:PH31780 1.7 40.3 1.0
C3 A:PH31780 2.7 39.0 1.0
C5 A:PH31780 2.7 39.2 1.0
CBD A:HEM1500 3.4 37.1 1.0
CG2 A:VAL338 3.7 27.8 1.0
SD A:MET341 3.9 33.7 1.0
CG1 A:VAL338 3.9 27.2 1.0
O A:HOH2896 3.9 43.0 1.0
O A:HOH2828 4.0 39.4 1.0
C6 A:PH31780 4.1 38.4 1.0
C2 A:PH31780 4.1 38.1 1.0
O2D A:HEM1500 4.1 42.2 1.0
CGD A:HEM1500 4.1 39.6 1.0
CB A:VAL338 4.4 28.6 1.0
CAD A:HEM1500 4.6 32.7 1.0
C1 A:PH31780 4.6 36.8 1.0
C3D A:HEM1500 4.7 27.7 1.0
CZ A:PHE355 4.7 24.7 1.0
OH A:TYR477 4.8 43.8 1.0
CG A:MET341 5.0 32.4 1.0
CE2 A:TYR477 5.0 38.9 1.0

Chlorine binding site 2 out of 4 in 1dm6

Go back to Chlorine Binding Sites List in 1dm6
Chlorine binding site 2 out of 4 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl2785

b:36.4
occ:1.00
CL A:PH32785 0.0 36.4 1.0
C4 A:PH32785 1.6 36.9 1.0
C3 A:PH32785 2.6 37.5 1.0
C5 A:PH32785 2.6 35.9 1.0
N A:GLU465 3.3 27.1 1.0
CG A:GLU465 3.3 27.2 1.0
C A:GLN464 3.3 25.8 1.0
O A:GLN464 3.5 25.3 1.0
C A:HIS463 3.5 25.9 1.0
CA A:GLU465 3.5 27.8 1.0
O A:HIS463 3.6 27.3 1.0
O A:PHE462 3.6 24.0 1.0
N A:GLN464 3.7 24.9 1.0
CD1 A:TRP76 3.9 31.2 1.0
C2 A:PH32785 3.9 37.3 1.0
C6 A:PH32785 3.9 36.9 1.0
O B:SER104 4.0 31.1 1.0
CA A:GLN464 4.0 24.0 1.0
CB A:GLU465 4.0 27.9 1.0
CA A:HIS463 4.1 26.3 1.0
NE1 A:TRP447 4.2 27.7 1.0
NE1 A:TRP76 4.3 30.5 1.0
CG2 B:VAL106 4.4 31.2 1.0
C1 A:PH32785 4.4 37.6 1.0
C A:PHE462 4.5 25.7 1.0
CD A:GLU465 4.6 28.6 1.0
O A:LYS74 4.6 29.5 1.0
OE2 A:GLU465 4.7 27.5 1.0
CD1 A:TRP447 4.7 27.6 1.0
N A:HIS463 4.8 26.1 1.0
C A:GLU465 4.9 28.2 1.0
CG A:TRP76 5.0 31.5 1.0

Chlorine binding site 3 out of 4 in 1dm6

Go back to Chlorine Binding Sites List in 1dm6
Chlorine binding site 3 out of 4 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl1785

b:37.9
occ:1.00
CL B:PH31785 0.0 37.9 1.0
C4 B:PH31785 1.7 37.2 1.0
C3 B:PH31785 2.6 36.6 1.0
C5 B:PH31785 2.6 35.8 1.0
N B:GLU465 3.2 26.7 1.0
C B:GLN464 3.3 27.9 1.0
CG B:GLU465 3.3 28.1 1.0
O B:GLN464 3.4 28.6 1.0
CA B:GLU465 3.5 25.9 1.0
C B:HIS463 3.6 28.2 1.0
O B:PHE462 3.7 24.6 1.0
N B:GLN464 3.7 28.7 1.0
O B:HIS463 3.8 29.7 1.0
C2 B:PH31785 3.9 34.8 1.0
C6 B:PH31785 3.9 35.7 1.0
CD1 B:TRP76 4.0 35.8 1.0
CA B:GLN464 4.0 27.7 1.0
CB B:GLU465 4.0 26.9 1.0
NE1 B:TRP447 4.0 24.7 1.0
O A:SER104 4.1 31.9 1.0
CA B:HIS463 4.2 26.9 1.0
CG2 A:VAL106 4.3 37.5 1.0
C1 B:PH31785 4.5 36.2 1.0
NE1 B:TRP76 4.5 36.4 1.0
CD1 B:TRP447 4.5 24.6 1.0
C B:PHE462 4.6 25.5 1.0
CD B:GLU465 4.7 28.0 1.0
O B:LYS74 4.7 34.4 1.0
C B:GLU465 4.8 25.7 1.0
N B:HIS463 4.9 25.7 1.0
OE2 B:GLU465 5.0 27.7 1.0
CE2 B:TRP447 5.0 25.8 1.0

Chlorine binding site 4 out of 4 in 1dm6

Go back to Chlorine Binding Sites List in 1dm6
Chlorine binding site 4 out of 4 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free)


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 4 of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N- (4-Chlorophenyl)-N'-Hydroxyguanidine (H4B Free) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Cl2780

b:46.7
occ:1.00
CL B:PH32780 0.0 46.7 1.0
C4 B:PH32780 1.7 45.6 1.0
C3 B:PH32780 2.7 44.8 1.0
C5 B:PH32780 2.7 44.1 1.0
CBD B:HEM2500 3.1 37.2 1.0
O1D B:HEM2500 3.8 41.3 1.0
SD B:MET341 3.8 32.9 1.0
CGD B:HEM2500 3.9 40.5 1.0
C6 B:PH32780 4.1 43.0 1.0
C2 B:PH32780 4.1 42.7 1.0
CG2 B:VAL338 4.1 28.5 1.0
CG1 B:VAL338 4.2 25.4 1.0
CAD B:HEM2500 4.3 31.3 1.0
C3D B:HEM2500 4.5 27.7 1.0
C1 B:PH32780 4.7 42.1 1.0
CB B:VAL338 4.7 28.3 1.0
C4D B:HEM2500 4.9 27.4 1.0
CG B:MET341 4.9 29.3 1.0
CZ B:PHE355 4.9 31.7 1.0
C2D B:HEM2500 4.9 26.8 1.0
CHA B:HEM2500 4.9 27.4 1.0
OH B:TYR477 5.0 43.8 1.0

Reference:

C.S.Raman, H.Li, P.Martasek, G.Southan, B.S.Masters, T.L.Poulos. Crystal Structure of Nitric Oxide Synthase Bound to Nitro Indazole Reveals A Novel Inactivation Mechanism. Biochemistry V. 40 13448 2001.
ISSN: ISSN 0006-2960
PubMed: 11695891
DOI: 10.1021/BI010957U
Page generated: Sat Dec 12 08:33:57 2020

Last articles

Zn in 7VD8
Zn in 7V1R
Zn in 7V1Q
Zn in 7VPF
Zn in 7T85
Zn in 7T5F
Zn in 7NF9
Zn in 7M4M
Zn in 7M4O
Zn in 7M4N
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy