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Iron 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
Chlorine (Cl) 4 atoms
Zinc (Zn) 1 atom

Iron Binding Sites:

The binding sites of Iron 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 Iron atom.
In total 2 binding sites of Iron 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 Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1dm6

Go back to Iron Binding Sites List in 1dm6
Iron binding site 1 out of 2 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 Iron with other atoms in the Fe 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:Fe1500

b:24.6
occ:1.00
FE A:HEM1500 0.0 24.6 1.0
NB A:HEM1500 2.0 23.9 1.0
NC A:HEM1500 2.0 23.9 1.0
ND A:HEM1500 2.0 24.8 1.0
NA A:HEM1500 2.0 26.2 1.0
SG A:CYS186 2.2 25.8 1.0
C4B A:HEM1500 3.0 24.2 1.0
C1B A:HEM1500 3.1 23.8 1.0
C1D A:HEM1500 3.1 25.5 1.0
C4D A:HEM1500 3.1 25.6 1.0
C1C A:HEM1500 3.1 23.8 1.0
C4C A:HEM1500 3.1 24.4 1.0
C1A A:HEM1500 3.1 26.2 1.0
C4A A:HEM1500 3.1 25.4 1.0
CB A:CYS186 3.3 27.3 1.0
CHC A:HEM1500 3.5 23.7 1.0
CHD A:HEM1500 3.5 25.9 1.0
CHA A:HEM1500 3.5 24.6 1.0
CHB A:HEM1500 3.5 24.6 1.0
C2 A:PH31780 3.9 38.1 1.0
CA A:CYS186 4.1 27.0 1.0
NH1 A:PH31780 4.2 36.2 1.0
C2B A:HEM1500 4.3 23.8 1.0
C3B A:HEM1500 4.3 25.4 1.0
C2D A:HEM1500 4.3 27.0 1.0
C3D A:HEM1500 4.3 27.7 1.0
C2A A:HEM1500 4.3 28.1 1.0
C2C A:HEM1500 4.3 23.3 1.0
C3C A:HEM1500 4.3 24.9 1.0
C3A A:HEM1500 4.4 27.6 1.0
NE1 A:TRP180 4.4 22.9 1.0
OH A:PH31780 4.5 36.6 1.0
CZ A:PH31780 4.6 35.6 1.0
C3 A:PH31780 4.7 39.0 1.0
C A:CYS186 4.8 26.7 1.0
C1 A:PH31780 4.9 36.8 1.0
NE A:PH31780 4.9 36.3 1.0
N A:GLY188 4.9 26.3 1.0
N A:VAL187 5.0 26.0 1.0
CD1 A:TRP180 5.0 24.3 1.0

Iron binding site 2 out of 2 in 1dm6

Go back to Iron Binding Sites List in 1dm6
Iron binding site 2 out of 2 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 Iron with other atoms in the Fe 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
B:Fe2500

b:26.2
occ:1.00
FE B:HEM2500 0.0 26.2 1.0
ND B:HEM2500 2.0 27.4 1.0
NB B:HEM2500 2.0 27.3 1.0
NC B:HEM2500 2.0 25.3 1.0
NA B:HEM2500 2.0 28.1 1.0
SG B:CYS186 2.3 27.3 1.0
C1D B:HEM2500 3.0 26.5 1.0
C1B B:HEM2500 3.1 27.8 1.0
C4D B:HEM2500 3.1 27.4 1.0
C4C B:HEM2500 3.1 23.2 1.0
C4A B:HEM2500 3.1 27.9 1.0
C1C B:HEM2500 3.1 25.7 1.0
C4B B:HEM2500 3.1 27.3 1.0
C1A B:HEM2500 3.1 27.8 1.0
CB B:CYS186 3.4 26.8 1.0
CHD B:HEM2500 3.4 24.4 1.0
CHC B:HEM2500 3.5 26.1 1.0
CHB B:HEM2500 3.5 27.5 1.0
CHA B:HEM2500 3.5 27.4 1.0
C2 B:PH32780 3.9 42.7 1.0
NH1 B:PH32780 4.0 39.4 1.0
CA B:CYS186 4.1 26.0 1.0
OH B:PH32780 4.3 38.7 1.0
C3D B:HEM2500 4.3 27.7 1.0
C2D B:HEM2500 4.3 26.8 1.0
C2B B:HEM2500 4.3 28.8 1.0
C3C B:HEM2500 4.3 24.5 1.0
C3A B:HEM2500 4.3 28.4 1.0
C2C B:HEM2500 4.3 24.9 1.0
C3B B:HEM2500 4.3 28.6 1.0
C2A B:HEM2500 4.3 29.9 1.0
NE1 B:TRP180 4.4 25.0 1.0
C3 B:PH32780 4.6 44.8 1.0
CZ B:PH32780 4.6 39.3 1.0
C B:CYS186 4.8 25.4 1.0
N B:GLY188 4.9 25.5 1.0
N B:VAL187 4.9 25.0 1.0
CD1 B:TRP180 5.0 25.8 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: Sun Dec 13 14:10:41 2020

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