Atomistry » Iron » PDB 1fnq-1fz1 » 1foj
Atomistry »
  Iron »
    PDB 1fnq-1fz1 »
      1foj »

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: Sat Aug 3 05:11:20 2024

Last articles

Zn in 9JYW
Zn in 9IR4
Zn in 9IR3
Zn in 9GMX
Zn in 9GMW
Zn in 9JEJ
Zn in 9ERF
Zn in 9ERE
Zn in 9EGV
Zn in 9EGW
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy