Atomistry » Arsenic » PDB 1b92-1fyx » 1d1v
Atomistry »
  Arsenic »
    PDB 1b92-1fyx »
      1d1v »

Arsenic in PDB 1d1v: Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with S- Ethyl-N-Phenyl-Isothiourea (H4B Bound)

Enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with S- Ethyl-N-Phenyl-Isothiourea (H4B Bound)

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with S- Ethyl-N-Phenyl-Isothiourea (H4B Bound):
1.14.13.39;

Protein crystallography data

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with S- Ethyl-N-Phenyl-Isothiourea (H4B Bound), PDB code: 1d1v 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) 36.48 / 1.93
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.940, 106.560, 156.950, 90.00, 90.00, 90.00
R / Rfree (%) 18.6 / 21.9

Other elements in 1d1v:

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with S- Ethyl-N-Phenyl-Isothiourea (H4B Bound) 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 S- Ethyl-N-Phenyl-Isothiourea (H4B Bound) (pdb code 1d1v). 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 S- Ethyl-N-Phenyl-Isothiourea (H4B Bound), PDB code: 1d1v:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 1d1v

Go back to Arsenic Binding Sites List in 1d1v
Arsenic binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with S- Ethyl-N-Phenyl-Isothiourea (H4B Bound)


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 S- Ethyl-N-Phenyl-Isothiourea (H4B Bound) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As950

b:45.3
occ:1.00
 AS A:CAD950 0.0 45.3 1.0
C1 A:CAD950 1.8 39.0 1.0
C2 A:CAD950 1.8 39.7 1.0
SG A:CYS384 2.3 32.5 1.0
O A:HOH1117 3.0 49.1 1.0
CB A:CYS384 3.4 28.2 1.0
CA A:CYS384 4.0 26.9 1.0
CE3 A:TRP324 4.4 28.6 1.0
CD1 A:LEU328 4.5 29.2 1.0
CD2 A:TRP324 4.7 29.5 1.0
O A:HOH1198 4.8 50.6 1.0
N A:CYS384 4.9 26.2 1.0
CB A:TRP324 4.9 27.9 1.0
CG A:TRP324 4.9 29.3 1.0
O A:HOH1233 5.0 58.2 1.0
CZ3 A:TRP324 5.0 28.9 1.0

Arsenic binding site 2 out of 2 in 1d1v

Go back to Arsenic Binding Sites List in 1d1v
Arsenic binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with S- Ethyl-N-Phenyl-Isothiourea (H4B Bound)


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 S- Ethyl-N-Phenyl-Isothiourea (H4B Bound) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As951

b:51.3
occ:1.00
 AS B:CAD951 0.0 51.3 1.0
C1 B:CAD951 1.8 50.7 1.0
C2 B:CAD951 1.8 50.3 1.0
SG B:CYS384 2.3 45.2 1.0
CB B:CYS384 3.1 40.9 1.0
CA B:CYS384 3.8 40.7 1.0
CE3 B:TRP324 4.2 45.3 1.0
CD2 B:TRP324 4.5 45.5 1.0
CB B:TRP324 4.5 43.9 1.0
CG B:TRP324 4.6 45.0 1.0
N B:CYS384 4.7 39.6 1.0
C B:CYS384 4.8 40.2 1.0
CZ3 B:TRP324 4.9 44.2 1.0
O B:CYS384 4.9 40.5 1.0

Reference:

C.S.Raman, H.Li, P.Martasek, B.R.Babu, O.W.Griffith, B.S.Masters, T.L.Poulos. Implications For Isoform-Selective Inhibitor Design Derived From the Binding Mode of Bulky Isothioureas to the Heme Domain of Endothelial Nitric-Oxide Synthase. J.Biol.Chem. V. 276 26486 2001.
ISSN: ISSN 0021-9258
PubMed: 11331290
DOI: 10.1074/JBC.M102255200
Page generated: Wed Jul 10 10:59:30 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy