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

Iron in PDB 4cwz: Structure of Bovine Endothelial Nitric Oxide Synthase Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine

Enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine

All present enzymatic activity of Structure of Bovine Endothelial Nitric Oxide Synthase Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine:
1.14.13.39;

Protein crystallography data

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine, PDB code: 4cwz 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) 42.66 / 2.08
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.818, 106.405, 156.723, 90.00, 90.00, 90.00
R / Rfree (%) 15.409 / 19.696

Other elements in 4cwz:

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-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 Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine (pdb code 4cwz). 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 Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine, PDB code: 4cwz:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 4cwz

Go back to Iron Binding Sites List in 4cwz
Iron binding site 1 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-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 Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe500

b:26.9
occ:1.00
 FE A:HEM500 0.0 26.9 1.0
ND A:HEM500 1.9 28.5 1.0
NA A:HEM500 2.0 27.6 1.0
NC A:HEM500 2.0 26.6 1.0
NB A:HEM500 2.1 25.9 1.0
SG A:CYS186 2.5 28.7 1.0
C1D A:HEM500 2.9 26.6 1.0
C4D A:HEM500 2.9 27.8 1.0
C1C A:HEM500 3.0 27.0 1.0
C4A A:HEM500 3.0 27.7 1.0
C4B A:HEM500 3.0 27.3 1.0
C1A A:HEM500 3.0 27.7 1.0
C1B A:HEM500 3.0 26.0 1.0
C4C A:HEM500 3.1 27.4 1.0
CHD A:HEM500 3.4 25.6 1.0
CHC A:HEM500 3.4 26.0 1.0
CHA A:HEM500 3.4 27.2 1.0
CHB A:HEM500 3.4 26.6 1.0
CB A:CYS186 3.5 25.5 1.0
C23 A:HW9800 3.9 28.4 1.0
C24 A:HW9800 4.0 28.7 1.0
C2D A:HEM500 4.2 28.6 1.0
C3D A:HEM500 4.2 26.3 1.0
CA A:CYS186 4.2 24.7 1.0
C27 A:HW9800 4.2 27.6 1.0
C3A A:HEM500 4.2 26.2 1.0
C2A A:HEM500 4.2 26.8 1.0
C2C A:HEM500 4.2 25.3 1.0
C3C A:HEM500 4.3 27.0 1.0
C2B A:HEM500 4.3 26.7 1.0
C3B A:HEM500 4.3 25.3 1.0
NE1 A:TRP180 4.4 27.3 1.0
C22 A:HW9800 4.5 26.5 1.0
C25 A:HW9800 4.7 29.3 1.0
N A:GLY188 5.0 24.2 1.0
C A:CYS186 5.0 25.1 1.0

Iron binding site 2 out of 2 in 4cwz

Go back to Iron Binding Sites List in 4cwz
Iron binding site 2 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-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 Y477A Mutant Heme Domain in Complex with 4-Methyl-6-(((3R,4R)-4-( (5-(4-Methylpyridin-2-Yl)Pentyl)Oxy)Pyrrolidin-3-Yl)Methyl) Pyridin-2-Amine within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe500

b:28.5
occ:1.00
 FE B:HEM500 0.0 28.5 1.0
ND B:HEM500 1.9 29.0 1.0
NA B:HEM500 2.0 30.2 1.0
NC B:HEM500 2.1 27.3 1.0
NB B:HEM500 2.1 27.0 1.0
SG B:CYS186 2.5 28.8 1.0
C1D B:HEM500 2.9 28.1 1.0
C4D B:HEM500 2.9 28.6 1.0
C1A B:HEM500 3.0 28.6 1.0
C4C B:HEM500 3.0 28.1 1.0
C4B B:HEM500 3.0 28.7 1.0
C4A B:HEM500 3.0 26.6 1.0
C1C B:HEM500 3.0 28.6 1.0
C1B B:HEM500 3.1 27.6 1.0
CHD B:HEM500 3.4 28.8 1.0
CHA B:HEM500 3.4 28.6 1.0
CHC B:HEM500 3.4 29.3 1.0
CHB B:HEM500 3.4 26.8 1.0
CB B:CYS186 3.5 25.7 1.0
C23 B:HW9800 3.9 28.8 1.0
C24 B:HW9800 4.0 29.3 1.0
C27 B:HW9800 4.1 26.5 1.0
C2D B:HEM500 4.2 28.9 1.0
C3D B:HEM500 4.2 29.0 1.0
C3A B:HEM500 4.2 28.0 1.0
C2A B:HEM500 4.2 29.3 1.0
C3C B:HEM500 4.2 28.9 1.0
C2C B:HEM500 4.2 28.5 1.0
CA B:CYS186 4.3 26.4 1.0
C2B B:HEM500 4.3 27.6 1.0
C3B B:HEM500 4.3 28.6 1.0
NE1 B:TRP180 4.3 29.3 1.0
C22 B:HW9800 4.6 28.0 1.0
C25 B:HW9800 4.8 28.8 1.0
N B:GLY188 4.9 28.5 1.0
CD1 B:TRP180 5.0 29.0 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 09:39:29 2025

Last articles

Mn in 3BIE
Mn in 3BI3
Mn in 3AZN
Mn in 3BFR
Mn in 3BDK
Mn in 3BCE
Mn in 3BAM
Mn in 3B6G
Mn in 3B6F
Mn in 3AZL
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy