Atomistry » Arsenic » PDB 1glj-1pqu » 1i83
Atomistry »
  Arsenic »
    PDB 1glj-1pqu »
      1i83 »

Arsenic in PDB 1i83: Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane (H4B Free)

Enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane (H4B Free)

All present enzymatic activity of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane (H4B Free):
1.14.13.39;

Protein crystallography data

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane (H4B Free), PDB code: 1i83 was solved by C.S.Raman, H.Li, P.Martasek, B.R.Babu, O.W.Griffith, 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) 44.08 / 2.00
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.390, 106.650, 156.670, 90.00, 90.00, 90.00
R / Rfree (%) 21.3 / 24.8

Other elements in 1i83:

The structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane (H4B Free) 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 N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane (H4B Free) (pdb code 1i83). 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 N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane (H4B Free), PDB code: 1i83:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 1i83

Go back to Arsenic Binding Sites List in 1i83
Arsenic binding site 1 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane (H4B Free)


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 N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane (H4B Free) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As384

b:58.4
occ:1.00
 AS A:CAS384 0.0 58.4 1.0
CE1 A:CAS384 1.8 51.2 1.0
CE2 A:CAS384 1.8 49.8 1.0
SG A:CAS384 2.3 41.4 1.0
CB A:CAS384 3.3 37.8 1.0
CA A:CAS384 4.0 36.7 1.0
CD1 A:LEU328 4.5 39.5 1.0
CE3 A:TRP324 4.6 37.7 1.0
N A:CAS384 4.8 35.4 1.0
CD2 A:TRP324 5.0 38.3 1.0

Arsenic binding site 2 out of 2 in 1i83

Go back to Arsenic Binding Sites List in 1i83
Arsenic binding site 2 out of 2 in the Bovine Endothelial Nitric Oxide Synthase Heme Domain Complexed with N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane (H4B Free)


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 N1,N14-Bis((S-Methyl)Isothioureido)Tetradecane (H4B Free) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As384

b:63.9
occ:1.00
 AS B:CAS384 0.0 63.9 1.0
CE2 B:CAS384 1.8 61.1 1.0
CE1 B:CAS384 1.8 60.7 1.0
SG B:CAS384 2.3 55.4 1.0
CB B:CAS384 3.4 54.6 1.0
CA B:CAS384 3.9 52.8 1.0
CE3 B:TRP324 4.6 57.2 1.0
N B:CAS384 4.8 52.6 1.0
CD2 B:TRP324 4.8 57.2 1.0
CB B:TRP324 4.9 55.3 1.0
C B:CAS384 4.9 53.2 1.0
O B:CAS384 4.9 52.6 1.0
CG B:TRP324 5.0 56.9 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 11:05:08 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