Atomistry » Arsenic » PDB 1z6b-2im2 » 2hx2
Atomistry »
  Arsenic »
    PDB 1z6b-2im2 »
      2hx2 »

Arsenic in PDB 2hx2: Bovine Enos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2- Aminoethyl)-Hydroxyamino]-Pentyl}-N'-Nitroguanidine

Enzymatic activity of Bovine Enos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2- Aminoethyl)-Hydroxyamino]-Pentyl}-N'-Nitroguanidine

All present enzymatic activity of Bovine Enos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2- Aminoethyl)-Hydroxyamino]-Pentyl}-N'-Nitroguanidine:
1.14.13.39;

Protein crystallography data

The structure of Bovine Enos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2- Aminoethyl)-Hydroxyamino]-Pentyl}-N'-Nitroguanidine, PDB code: 2hx2 was solved by J.Igarashi, H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 48.36 / 1.95
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.820, 106.850, 156.350, 90.00, 90.00, 90.00
R / Rfree (%) 18 / 21.3

Other elements in 2hx2:

The structure of Bovine Enos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2- Aminoethyl)-Hydroxyamino]-Pentyl}-N'-Nitroguanidine 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 Enos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2- Aminoethyl)-Hydroxyamino]-Pentyl}-N'-Nitroguanidine (pdb code 2hx2). 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 Enos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2- Aminoethyl)-Hydroxyamino]-Pentyl}-N'-Nitroguanidine, PDB code: 2hx2:
Jump to Arsenic binding site number: 1; 2;

Arsenic binding site 1 out of 2 in 2hx2

Go back to Arsenic Binding Sites List in 2hx2
Arsenic binding site 1 out of 2 in the Bovine Enos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2- Aminoethyl)-Hydroxyamino]-Pentyl}-N'-Nitroguanidine


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 1 of Bovine Enos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2- Aminoethyl)-Hydroxyamino]-Pentyl}-N'-Nitroguanidine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:As850

b:46.4
occ:1.00
AS A:CAC850 0.0 46.4 1.0
C1 A:CAC850 1.8 42.3 1.0
C2 A:CAC850 1.8 43.9 1.0
SG A:CYS384 2.3 34.9 1.0
CB A:CYS384 3.1 31.2 1.0
CA A:CYS384 3.8 29.8 1.0
CE3 A:TRP324 4.2 28.6 1.0
O A:HOH1048 4.3 56.7 1.0
CD2 A:TRP324 4.4 29.7 1.0
CG A:TRP324 4.5 30.8 1.0
CB A:TRP324 4.6 30.8 1.0
N A:CYS384 4.7 28.8 1.0
C A:CYS384 4.8 29.8 1.0
CZ3 A:TRP324 4.8 27.5 1.0
O A:CYS384 4.9 29.0 1.0
CD2 A:LEU328 4.9 30.4 1.0

Arsenic binding site 2 out of 2 in 2hx2

Go back to Arsenic Binding Sites List in 2hx2
Arsenic binding site 2 out of 2 in the Bovine Enos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2- Aminoethyl)-Hydroxyamino]-Pentyl}-N'-Nitroguanidine


Mono view


Stereo pair view

A full contact list of Arsenic with other atoms in the As binding site number 2 of Bovine Enos Heme Domain Complexed with (4S)-N-{4-Amino-5-[(2- Aminoethyl)-Hydroxyamino]-Pentyl}-N'-Nitroguanidine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:As850

b:49.3
occ:1.00
AS B:CAC850 0.0 49.3 1.0
C2 B:CAC850 1.8 47.7 1.0
C1 B:CAC850 1.8 48.8 1.0
SG B:CYS384 2.3 42.9 1.0
CB B:CYS384 3.2 40.9 1.0
CA B:CYS384 3.8 39.9 1.0
O B:HOH1005 4.4 56.8 1.0
N B:CYS384 4.7 40.7 1.0
CE3 B:TRP324 4.7 45.4 1.0
C B:CYS384 4.9 40.4 1.0
CD2 B:TRP324 4.9 45.5 1.0
CB B:TRP324 4.9 42.3 1.0
O B:CYS384 5.0 40.1 1.0

Reference:

J.Seo, J.Igarashi, H.Li, P.Martasek, L.J.Roman, T.L.Poulos, R.B.Silverman. Structure-Based Design and Synthesis of N(Omega)-Nitro-L-Arginine-Containing Peptidomimetics As Selective Inhibitors of Neuronal Nitric Oxide Synthase. Displacement of the Heme Structural Water. J.Med.Chem. V. 50 2089 2007.
ISSN: ISSN 0022-2623
PubMed: 17425297
DOI: 10.1021/JM061305C
Page generated: Sat Dec 12 01:38:06 2020

Last articles

Zn in 7OQY
Zn in 7PEL
Zn in 7OYG
Zn in 7P3S
Zn in 7PE7
Zn in 7RZC
Zn in 7PE9
Zn in 7PE8
Zn in 7RAG
Zn in 7RN5
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy