Atomistry » Iron » PDB 4jo0-4k5d » 4jsk
Atomistry »
  Iron »
    PDB 4jo0-4k5d »
      4jsk »

Iron in PDB 4jsk: Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine)

Enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine)

All present enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine):
1.14.13.39;

Protein crystallography data

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine), PDB code: 4jsk was solved by H.Li, T.L.Poulos, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.90 / 2.28
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 58.432, 106.572, 156.972, 90.00, 90.00, 90.00
R / Rfree (%) 20.5 / 25.8

Other elements in 4jsk:

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine) also contains other interesting chemical elements:

Arsenic (As) 2 atoms
Zinc (Zn) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine) (pdb code 4jsk). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine), PDB code: 4jsk:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 4jsk

Go back to Iron Binding Sites List in 4jsk
Iron binding site 1 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:45.7
occ:1.00
 FE A:HEM501 0.0 45.7 1.0
NB A:HEM501 2.0 41.4 1.0
ND A:HEM501 2.0 38.7 1.0
NC A:HEM501 2.0 44.1 1.0
NA A:HEM501 2.0 39.5 1.0
SG A:CYS186 2.6 43.1 1.0
C4B A:HEM501 3.0 44.8 1.0
C1B A:HEM501 3.0 40.9 1.0
C1A A:HEM501 3.0 41.5 1.0
C4D A:HEM501 3.0 40.2 1.0
C1C A:HEM501 3.0 43.0 1.0
C4C A:HEM501 3.0 42.3 1.0
C1D A:HEM501 3.1 40.1 1.0
C4A A:HEM501 3.1 41.1 1.0
CHC A:HEM501 3.4 45.7 1.0
CHA A:HEM501 3.4 38.6 1.0
CHD A:HEM501 3.4 38.9 1.0
CHB A:HEM501 3.4 39.4 1.0
CB A:CYS186 3.6 39.8 1.0
C03 A:QJ2503 3.9 38.6 1.0
C04 A:QJ2503 3.9 42.1 1.0
C07 A:QJ2503 4.2 37.5 1.0
CA A:CYS186 4.2 38.3 1.0
C3B A:HEM501 4.2 44.1 1.0
C2B A:HEM501 4.2 42.2 1.0
C3C A:HEM501 4.2 42.2 1.0
C2A A:HEM501 4.2 42.0 1.0
C2C A:HEM501 4.3 44.6 1.0
C3A A:HEM501 4.3 39.8 1.0
C3D A:HEM501 4.3 36.3 1.0
C2D A:HEM501 4.3 33.2 1.0
C02 A:QJ2503 4.4 39.6 1.0
NE1 A:TRP180 4.4 40.9 1.0
C05 A:QJ2503 4.4 40.6 1.0
N01 A:QJ2503 4.8 41.2 1.0
C06 A:QJ2503 4.8 45.0 1.0
N A:GLY188 4.9 42.1 1.0
C A:CYS186 4.9 38.4 1.0

Iron binding site 2 out of 2 in 4jsk

Go back to Iron Binding Sites List in 4jsk
Iron binding site 2 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine)


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6,6'-(Pentane-1,5-Diyl)Bis(4-Methylpyridin-2-Amine) within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:41.6
occ:1.00
 FE B:HEM501 0.0 41.6 1.0
NB B:HEM501 1.9 37.1 1.0
NA B:HEM501 2.0 42.2 1.0
NC B:HEM501 2.0 39.3 1.0
ND B:HEM501 2.1 41.8 1.0
SG B:CYS186 2.4 38.1 1.0
C1B B:HEM501 2.9 42.7 1.0
C4B B:HEM501 3.0 40.8 1.0
C4C B:HEM501 3.0 41.1 1.0
C4A B:HEM501 3.0 41.9 1.0
C1A B:HEM501 3.1 44.7 1.0
C4D B:HEM501 3.1 44.0 1.0
C1C B:HEM501 3.1 40.4 1.0
C1D B:HEM501 3.1 45.0 1.0
CHB B:HEM501 3.3 43.2 1.0
CB B:CYS186 3.4 40.7 1.0
CHA B:HEM501 3.4 44.8 1.0
CHD B:HEM501 3.4 44.8 1.0
CHC B:HEM501 3.4 37.4 1.0
C04 B:QJ2503 3.8 44.4 1.0
C03 B:QJ2503 3.8 45.1 1.0
C07 B:QJ2503 3.9 43.4 1.0
C2B B:HEM501 4.1 40.7 1.0
C3B B:HEM501 4.2 38.8 1.0
CA B:CYS186 4.2 39.7 1.0
C3C B:HEM501 4.2 39.7 1.0
C3A B:HEM501 4.3 43.5 1.0
C2C B:HEM501 4.3 39.7 1.0
C2A B:HEM501 4.3 44.8 1.0
C3D B:HEM501 4.3 45.0 1.0
C2D B:HEM501 4.3 44.0 1.0
C05 B:QJ2503 4.4 45.1 1.0
NE1 B:TRP180 4.4 37.1 1.0
C02 B:QJ2503 4.5 42.5 1.0
C06 B:QJ2503 4.9 44.2 1.0
N B:GLY188 4.9 41.4 1.0
C B:CYS186 4.9 39.9 1.0
N01 B:QJ2503 4.9 42.1 1.0
N B:VAL187 5.0 41.0 1.0

Reference:

Q.Jing, H.Li, J.Fang, L.J.Roman, P.Martasek, T.L.Poulos, R.B.Silverman. In Search of Potent and Selective Inhibitors of Neuronal Nitric Oxide Synthase with More Simple Structures. Bioorg.Med.Chem. V. 21 5323 2013.
ISSN: ISSN 0968-0896
PubMed: 23867386
DOI: 10.1016/J.BMC.2013.06.014
Page generated: Mon Aug 5 04:51:19 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