Atomistry » Iron » PDB 4cuo-4d36 » 4cx2
Atomistry »
  Iron »
    PDB 4cuo-4d36 »
      4cx2 »

Iron in PDB 4cx2: Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-(5-(((3R,4R)-4-((6-Amino-4- Methylpyridin-2-Yl)Methyl)Pyrrolidin-3-Yl)Oxy)Pentyl)-4- Methylpyridin-2-Amine

Enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-(5-(((3R,4R)-4-((6-Amino-4- Methylpyridin-2-Yl)Methyl)Pyrrolidin-3-Yl)Oxy)Pentyl)-4- Methylpyridin-2-Amine

All present enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-(5-(((3R,4R)-4-((6-Amino-4- Methylpyridin-2-Yl)Methyl)Pyrrolidin-3-Yl)Oxy)Pentyl)-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-(5-(((3R,4R)-4-((6-Amino-4- Methylpyridin-2-Yl)Methyl)Pyrrolidin-3-Yl)Oxy)Pentyl)-4- Methylpyridin-2-Amine, PDB code: 4cx2 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) 88.13 / 2.04
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.876, 106.572, 156.760, 90.00, 90.00, 90.00
R / Rfree (%) 16.258 / 20.122

Other elements in 4cx2:

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-(5-(((3R,4R)-4-((6-Amino-4- Methylpyridin-2-Yl)Methyl)Pyrrolidin-3-Yl)Oxy)Pentyl)-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-(5-(((3R,4R)-4-((6-Amino-4- Methylpyridin-2-Yl)Methyl)Pyrrolidin-3-Yl)Oxy)Pentyl)-4- Methylpyridin-2-Amine (pdb code 4cx2). 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-(5-(((3R,4R)-4-((6-Amino-4- Methylpyridin-2-Yl)Methyl)Pyrrolidin-3-Yl)Oxy)Pentyl)-4- Methylpyridin-2-Amine, PDB code: 4cx2:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 4cx2

Go back to Iron Binding Sites List in 4cx2
Iron binding site 1 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-(5-(((3R,4R)-4-((6-Amino-4- Methylpyridin-2-Yl)Methyl)Pyrrolidin-3-Yl)Oxy)Pentyl)-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-(5-(((3R,4R)-4-((6-Amino-4- Methylpyridin-2-Yl)Methyl)Pyrrolidin-3-Yl)Oxy)Pentyl)-4- Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe500

b:29.0
occ:1.00
 FE A:HEM500 0.0 29.0 1.0
NC A:HEM500 2.0 28.1 1.0
NA A:HEM500 2.0 29.1 1.0
ND A:HEM500 2.1 27.9 1.0
NB A:HEM500 2.1 30.3 1.0
SG A:CYS186 2.3 29.2 1.0
C4C A:HEM500 3.0 27.8 1.0
C4A A:HEM500 3.1 27.6 1.0
C1D A:HEM500 3.1 28.7 1.0
C1A A:HEM500 3.1 27.2 1.0
C1C A:HEM500 3.1 26.8 1.0
C4B A:HEM500 3.1 29.7 1.0
C4D A:HEM500 3.2 27.9 1.0
C1B A:HEM500 3.2 28.8 1.0
CB A:CYS186 3.3 28.1 1.0
CHD A:HEM500 3.4 28.7 1.0
CHB A:HEM500 3.5 28.4 1.0
CHC A:HEM500 3.5 28.8 1.0
CHA A:HEM500 3.5 26.8 1.0
C23 A:HW1800 4.0 28.4 1.0
CA A:CYS186 4.0 27.0 1.0
C24 A:HW1800 4.2 28.2 1.0
NE1 A:TRP180 4.3 26.8 1.0
C27 A:HW1800 4.3 27.7 1.0
C3C A:HEM500 4.3 27.9 1.0
C2A A:HEM500 4.4 28.4 1.0
C3A A:HEM500 4.4 28.5 1.0
C2C A:HEM500 4.4 27.5 1.0
C2D A:HEM500 4.4 28.8 1.0
C3D A:HEM500 4.5 28.4 1.0
C3B A:HEM500 4.5 29.1 1.0
C2B A:HEM500 4.5 28.8 1.0
C22 A:HW1800 4.7 28.7 1.0
N A:GLY188 4.7 28.5 1.0
C A:CYS186 4.8 27.2 1.0
CD1 A:TRP180 4.9 27.2 1.0
N A:VAL187 4.9 26.9 1.0
C25 A:HW1800 5.0 28.8 1.0

Iron binding site 2 out of 2 in 4cx2

Go back to Iron Binding Sites List in 4cx2
Iron binding site 2 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Heme Domain in Complex with 6-(5-(((3R,4R)-4-((6-Amino-4- Methylpyridin-2-Yl)Methyl)Pyrrolidin-3-Yl)Oxy)Pentyl)-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-(5-(((3R,4R)-4-((6-Amino-4- Methylpyridin-2-Yl)Methyl)Pyrrolidin-3-Yl)Oxy)Pentyl)-4- Methylpyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe500

b:30.2
occ:1.00
 FE B:HEM500 0.0 30.2 1.0
NA B:HEM500 2.0 29.7 1.0
NC B:HEM500 2.0 28.0 1.0
ND B:HEM500 2.1 29.7 1.0
NB B:HEM500 2.1 29.7 1.0
SG B:CYS186 2.3 28.4 1.0
C4C B:HEM500 3.1 29.3 1.0
C4A B:HEM500 3.1 27.4 1.0
C1D B:HEM500 3.1 29.7 1.0
C1A B:HEM500 3.1 28.2 1.0
C1C B:HEM500 3.1 29.5 1.0
C4B B:HEM500 3.1 30.8 1.0
C1B B:HEM500 3.1 29.1 1.0
C4D B:HEM500 3.2 30.2 1.0
CB B:CYS186 3.3 27.7 1.0
CHD B:HEM500 3.4 30.0 1.0
CHB B:HEM500 3.5 29.8 1.0
CHC B:HEM500 3.5 29.9 1.0
CHA B:HEM500 3.6 28.0 1.0
C23 B:HW1800 4.0 31.5 1.0
CA B:CYS186 4.1 27.7 1.0
C24 B:HW1800 4.2 32.7 1.0
C27 B:HW1800 4.3 30.6 1.0
NE1 B:TRP180 4.3 30.8 1.0
C3C B:HEM500 4.3 30.3 1.0
C3A B:HEM500 4.4 28.5 1.0
C2A B:HEM500 4.4 29.1 1.0
C2C B:HEM500 4.4 29.4 1.0
C3B B:HEM500 4.4 29.8 1.0
C2D B:HEM500 4.5 30.2 1.0
C3D B:HEM500 4.5 30.3 1.0
C2B B:HEM500 4.5 29.9 1.0
C22 B:HW1800 4.6 31.6 1.0
N B:GLY188 4.7 30.3 1.0
C B:CYS186 4.8 26.6 1.0
CD1 B:TRP180 4.9 30.1 1.0
N B:VAL187 5.0 27.7 1.0

Reference:

H.Li, J.Jamal, S.L.Delker, C.Plaza, H.Ji, Q.Jing, H.Huang, S.Kang, R.B.Silverman, T.L.Poulos. Mobility of A Conserved Tyrosine Residue Controls Isoform- Dependent Enzyme-Inhibitor Interactions in Nitric Oxide Synthases. Biochemistry V. 53 5272 2014.
ISSN: ISSN 0006-2960
PubMed: 25089924
DOI: 10.1021/BI500561H
Page generated: Tue Aug 5 09:39:43 2025

Last articles

Mg in 4B2Q
Mg in 4B3A
Mg in 4B1Z
Mg in 4B2P
Mg in 4B2M
Mg in 4B2K
Mg in 4B2J
Mg in 4B2D
Mg in 4B20
Mg in 4B2H
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy