Atomistry » Arsenic » PDB 1b92-1fyx » 1foj
Atomistry »
  Arsenic »
    PDB 1b92-1fyx »
      1foj »

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

Last articles

Xe in 6AYK
Xe in 6QII
Xe in 6ASM
Xe in 5NSW
Xe in 6FY9
Xe in 5O1K
Xe in 5O27
Xe in 5M69
Xe in 5KPU
Xe in 5I63
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy