Atomistry » Iron » PDB 4cuo-4d36 » 4cx1
Atomistry »
  Iron »
    PDB 4cuo-4d36 »
      4cx1 »

Iron in PDB 4cx1: Structure of Bovine Endothelial Nitric Oxide Synthase L111A 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 L111A 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 L111A 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 L111A 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: 4cx1 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) 92.19 / 2.13
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 57.725, 106.199, 156.052, 90.00, 90.00, 90.00
R / Rfree (%) 17.243 / 21.428

Other elements in 4cx1:

The structure of Structure of Bovine Endothelial Nitric Oxide Synthase L111A 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 L111A 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 4cx1). 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 L111A 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: 4cx1:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 4cx1

Go back to Iron Binding Sites List in 4cx1
Iron binding site 1 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase L111A 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 L111A 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:27.3
occ:1.00
 FE A:HEM500 0.0 27.3 1.0
NC A:HEM500 2.0 25.1 1.0
NA A:HEM500 2.0 27.3 1.0
ND A:HEM500 2.1 24.4 1.0
NB A:HEM500 2.1 25.7 1.0
SG A:CYS186 2.3 31.8 1.0
C4C A:HEM500 3.0 25.6 1.0
C1D A:HEM500 3.0 27.1 1.0
C1A A:HEM500 3.1 25.7 1.0
C4A A:HEM500 3.1 28.4 1.0
C4D A:HEM500 3.1 27.4 1.0
C1C A:HEM500 3.1 24.5 1.0
C1B A:HEM500 3.1 26.5 1.0
C4B A:HEM500 3.1 26.8 1.0
CB A:CYS186 3.3 31.6 1.0
CHD A:HEM500 3.3 26.4 1.0
CHB A:HEM500 3.5 27.1 1.0
CHA A:HEM500 3.5 25.4 1.0
CHC A:HEM500 3.6 24.5 1.0
CA A:CYS186 4.0 27.9 1.0
C23 A:HW9800 4.0 28.5 1.0
C24 A:HW9800 4.2 28.9 1.0
C27 A:HW9800 4.2 26.7 1.0
C3C A:HEM500 4.3 24.6 1.0
NE1 A:TRP180 4.3 29.7 1.0
C2A A:HEM500 4.4 26.8 1.0
C2C A:HEM500 4.4 24.9 1.0
C2D A:HEM500 4.4 26.2 1.0
C3A A:HEM500 4.4 27.7 1.0
C3D A:HEM500 4.4 26.2 1.0
C3B A:HEM500 4.5 27.0 1.0
C2B A:HEM500 4.5 25.8 1.0
N A:GLY188 4.7 28.2 1.0
C22 A:HW9800 4.7 27.7 1.0
C A:CYS186 4.8 27.8 1.0
CD1 A:TRP180 4.9 28.8 1.0
N A:VAL187 4.9 28.0 1.0
CA A:GLY188 5.0 29.0 1.0

Iron binding site 2 out of 2 in 4cx1

Go back to Iron Binding Sites List in 4cx1
Iron binding site 2 out of 2 in the Structure of Bovine Endothelial Nitric Oxide Synthase L111A 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 L111A 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:32.0
occ:1.00
 FE B:HEM500 0.0 32.0 1.0
NA B:HEM500 2.0 33.5 1.0
NC B:HEM500 2.0 29.4 1.0
NB B:HEM500 2.1 30.8 1.0
ND B:HEM500 2.1 31.2 1.0
SG B:CYS186 2.3 32.5 1.0
C4C B:HEM500 3.1 28.4 1.0
C4A B:HEM500 3.1 28.9 1.0
C1D B:HEM500 3.1 31.5 1.0
C1C B:HEM500 3.1 28.6 1.0
C1A B:HEM500 3.1 31.4 1.0
C4B B:HEM500 3.1 32.2 1.0
C1B B:HEM500 3.1 31.3 1.0
C4D B:HEM500 3.2 33.2 1.0
CB B:CYS186 3.3 30.9 1.0
CHD B:HEM500 3.4 30.2 1.0
CHB B:HEM500 3.5 30.0 1.0
CHC B:HEM500 3.5 28.5 1.0
CHA B:HEM500 3.6 30.8 1.0
C23 B:HW9800 3.9 32.7 1.0
CA B:CYS186 4.1 29.5 1.0
C27 B:HW9800 4.2 29.6 1.0
C24 B:HW9800 4.2 33.7 1.0
NE1 B:TRP180 4.3 37.5 1.0
C3C B:HEM500 4.3 30.3 1.0
C3A B:HEM500 4.4 30.7 1.0
C2A B:HEM500 4.4 31.4 1.0
C2C B:HEM500 4.4 30.1 1.0
C3B B:HEM500 4.4 31.9 1.0
C2D B:HEM500 4.5 34.2 1.0
C2B B:HEM500 4.5 30.8 1.0
C3D B:HEM500 4.5 32.9 1.0
C22 B:HW9800 4.6 34.2 1.0
N B:GLY188 4.7 28.0 1.0
C B:CYS186 4.8 28.4 1.0
N B:VAL187 4.9 27.5 1.0
CD1 B:TRP180 4.9 32.8 1.0
CA B:GLY188 5.0 28.1 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: Mon Aug 5 00:58:35 2024

Last articles

Zn in 3HKQ
Zn in 3HKA
Zn in 3HKO
Zn in 3HKN
Zn in 3HK8
Zn in 3HK5
Zn in 3HJT
Zn in 3HJW
Zn in 3HGZ
Zn in 3HI2
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy