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Iron in PDB 1foj: Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 7- Nitroindazole-2-Carboxamidine (H4B Present)

Enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 7- Nitroindazole-2-Carboxamidine (H4B Present)

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 7- Nitroindazole-2-Carboxamidine (H4B Present):
1.14.13.39;

Protein crystallography data

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 7- Nitroindazole-2-Carboxamidine (H4B Present), PDB code: 1foj was solved by C.S.Raman, H.Li, P.Martasek, B.S.Masters, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 19.85 / 2.10
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.380, 106.490, 155.700, 90.00, 90.00, 90.00
R / Rfree (%) 22.7 / 25.9

Other elements in 1foj:

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 7- Nitroindazole-2-Carboxamidine (H4B Present) also contains other interesting chemical elements:

Arsenic (As) 2 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 7- Nitroindazole-2-Carboxamidine (H4B Present) (pdb code 1foj). 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 7- Nitroindazole-2-Carboxamidine (H4B Present), PDB code: 1foj:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1foj

Go back to Iron Binding Sites List in 1foj
Iron binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 7- Nitroindazole-2-Carboxamidine (H4B Present)


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 7- Nitroindazole-2-Carboxamidine (H4B Present) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe500

b:31.1
occ:1.00
FE A:HEM500 0.0 31.1 1.0
ND A:HEM500 2.0 32.9 1.0
NB A:HEM500 2.0 31.1 1.0
NA A:HEM500 2.0 33.8 1.0
NC A:HEM500 2.0 29.0 1.0
SG A:CYS186 2.3 32.6 1.0
C1D A:HEM500 3.0 31.6 1.0
C4D A:HEM500 3.1 34.3 1.0
C4C A:HEM500 3.1 30.4 1.0
C4B A:HEM500 3.1 31.6 1.0
C1B A:HEM500 3.1 31.0 1.0
C1A A:HEM500 3.1 34.5 1.0
C1C A:HEM500 3.1 29.2 1.0
C4A A:HEM500 3.1 32.4 1.0
CB A:CYS186 3.2 31.7 1.0
CHD A:HEM500 3.4 30.6 1.0
CHC A:HEM500 3.5 29.9 1.0
CHA A:HEM500 3.5 33.0 1.0
CHB A:HEM500 3.5 31.8 1.0
C9 A:7NI1750 3.8 35.8 1.0
C4 A:7NI1750 4.0 35.0 1.0
C3 A:7NI1750 4.1 32.7 1.0
CA A:CYS186 4.1 31.8 1.0
C8 A:7NI1750 4.2 36.0 1.0
C3D A:HEM500 4.3 35.6 1.0
C2D A:HEM500 4.3 33.9 1.0
C2A A:HEM500 4.3 35.7 1.0
C2B A:HEM500 4.3 31.0 1.0
C3B A:HEM500 4.3 32.2 1.0
C2C A:HEM500 4.3 28.7 1.0
C3C A:HEM500 4.3 28.8 1.0
C3A A:HEM500 4.3 34.1 1.0
C5 A:7NI1750 4.5 36.4 1.0
NE1 A:TRP180 4.5 26.8 1.0
N2 A:7NI1750 4.6 32.8 1.0
N1 A:7NI1750 4.6 36.0 1.0
C7 A:7NI1750 4.7 37.7 1.0
C6 A:7NI1750 4.8 36.3 1.0
C A:CYS186 4.9 31.6 1.0

Iron binding site 2 out of 2 in 1foj

Go back to Iron Binding Sites List in 1foj
Iron binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 7- Nitroindazole-2-Carboxamidine (H4B Present)


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 7- Nitroindazole-2-Carboxamidine (H4B Present) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe500

b:32.4
occ:1.00
FE B:HEM500 0.0 32.4 1.0
ND B:HEM500 2.0 30.8 1.0
NB B:HEM500 2.0 30.0 1.0
NC B:HEM500 2.0 29.5 1.0
NA B:HEM500 2.0 32.4 1.0
SG B:CYS186 2.3 32.3 1.0
C1D B:HEM500 3.0 31.9 1.0
C1B B:HEM500 3.0 30.7 1.0
C4C B:HEM500 3.0 29.4 1.0
C4D B:HEM500 3.1 32.4 1.0
C1C B:HEM500 3.1 28.7 1.0
C4B B:HEM500 3.1 30.6 1.0
C1A B:HEM500 3.1 32.2 1.0
C4A B:HEM500 3.1 31.6 1.0
CB B:CYS186 3.4 31.4 1.0
CHD B:HEM500 3.4 30.4 1.0
CHB B:HEM500 3.4 31.9 1.0
CHC B:HEM500 3.5 28.8 1.0
CHA B:HEM500 3.5 31.8 1.0
C9 B:7NI2750 3.7 34.6 1.0
C3 B:7NI2750 3.8 34.5 1.0
C4 B:7NI2750 3.9 35.7 1.0
CA B:CYS186 4.1 32.3 1.0
C8 B:7NI2750 4.1 36.7 1.0
C2B B:HEM500 4.3 30.3 1.0
C2D B:HEM500 4.3 33.1 1.0
C3C B:HEM500 4.3 29.9 1.0
C2C B:HEM500 4.3 29.8 1.0
C3D B:HEM500 4.3 32.9 1.0
C2A B:HEM500 4.3 34.0 1.0
C3B B:HEM500 4.3 29.8 1.0
C3A B:HEM500 4.3 32.8 1.0
N2 B:7NI2750 4.4 31.1 1.0
NE1 B:TRP180 4.4 30.5 1.0
N1 B:7NI2750 4.5 36.2 1.0
C5 B:7NI2750 4.5 36.7 1.0
C7 B:7NI2750 4.7 39.2 1.0
C6 B:7NI2750 4.8 37.9 1.0
C B:CYS186 4.9 32.3 1.0
N B:VAL187 4.9 32.4 1.0
N B:GLY188 5.0 32.9 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 14:14:08 2020

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