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Arsenic 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:

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

Arsenic Binding Sites:

The binding sites of Arsenic 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 Arsenic atom.
In total 2 binding sites of Arsenic where determined in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with 7- Nitroindazole-2-Carboxamidine (H4B Present), PDB code: 1foj:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 1foj

Go back to Arsenic Binding Sites List in 1foj
Arsenic 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 Arsenic with other atoms in the As 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:As1950

b:62.7
occ:1.00
AS A:CAC1950 0.0 62.7 1.0
C2 A:CAC1950 1.8 58.2 1.0
C1 A:CAC1950 1.8 56.6 1.0
SG A:CYS384 2.3 50.1 1.0
CB A:CYS384 2.9 43.9 1.0
CA A:CYS384 3.6 43.0 1.0
CE3 A:TRP324 4.0 41.4 1.0
CD2 A:TRP324 4.2 42.9 1.0
CG A:TRP324 4.5 44.2 1.0
CB A:TRP324 4.5 44.4 1.0
CZ3 A:TRP324 4.6 41.6 1.0
C A:CYS384 4.6 43.9 1.0
N A:CYS384 4.6 41.0 1.0
O A:CYS384 4.7 43.0 1.0
CD2 A:LEU328 4.8 37.7 1.0
CE2 A:TRP324 5.0 44.0 1.0

Arsenic binding site 2 out of 2 in 1foj

Go back to Arsenic Binding Sites List in 1foj
Arsenic 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 Arsenic with other atoms in the As 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:As2950

b:74.7
occ:1.00
AS B:CAC2950 0.0 74.7 1.0
C2 B:CAC2950 1.8 73.5 1.0
C1 B:CAC2950 1.8 73.1 1.0
SG B:CYS384 2.2 68.8 1.0
CB B:CYS384 3.0 61.4 1.0
CA B:CYS384 3.5 59.1 1.0
CE3 B:TRP324 4.1 58.1 1.0
CD2 B:TRP324 4.4 58.8 1.0
N B:CYS384 4.5 57.1 1.0
C B:CYS384 4.6 59.2 1.0
O B:CYS384 4.6 59.2 1.0
CB B:TRP324 4.6 57.9 1.0
CG B:TRP324 4.7 58.6 1.0
CZ3 B:TRP324 4.7 57.7 1.0
CD2 B:LEU328 4.8 54.0 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: Tue Oct 27 16:46:34 2020

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