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Iron in PDB 4gqe: Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with (5E)-5-[(N-Tert-Butoxycarbamimidoyl)Imino]-L-Norvaline

Enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with (5E)-5-[(N-Tert-Butoxycarbamimidoyl)Imino]-L-Norvaline

All present enzymatic activity of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with (5E)-5-[(N-Tert-Butoxycarbamimidoyl)Imino]-L-Norvaline:
1.14.13.39;

Protein crystallography data

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with (5E)-5-[(N-Tert-Butoxycarbamimidoyl)Imino]-L-Norvaline, PDB code: 4gqe 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) 46.01 / 1.80
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 51.994, 111.103, 164.306, 90.00, 90.00, 90.00
R / Rfree (%) 18.9 / 22.2

Other elements in 4gqe:

The structure of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with (5E)-5-[(N-Tert-Butoxycarbamimidoyl)Imino]-L-Norvaline also contains other interesting chemical elements:

Zinc (Zn) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with (5E)-5-[(N-Tert-Butoxycarbamimidoyl)Imino]-L-Norvaline (pdb code 4gqe). 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 Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with (5E)-5-[(N-Tert-Butoxycarbamimidoyl)Imino]-L-Norvaline, PDB code: 4gqe:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 4gqe

Go back to Iron Binding Sites List in 4gqe
Iron binding site 1 out of 2 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with (5E)-5-[(N-Tert-Butoxycarbamimidoyl)Imino]-L-Norvaline


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with (5E)-5-[(N-Tert-Butoxycarbamimidoyl)Imino]-L-Norvaline within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe801

b:27.8
occ:1.00
FE A:HEM801 0.0 27.8 1.0
NC A:HEM801 2.0 26.1 1.0
NA A:HEM801 2.0 30.4 1.0
ND A:HEM801 2.1 30.7 1.0
NB A:HEM801 2.1 31.9 1.0
SG A:CYS415 2.4 28.1 1.0
C1D A:HEM801 3.1 27.8 1.0
C4C A:HEM801 3.1 28.1 1.0
C1A A:HEM801 3.1 29.6 1.0
C1C A:HEM801 3.1 27.7 1.0
C4A A:HEM801 3.1 31.6 1.0
C4D A:HEM801 3.1 31.5 1.0
C4B A:HEM801 3.2 31.2 1.0
C1B A:HEM801 3.2 31.3 1.0
CB A:CYS415 3.4 27.4 1.0
CHD A:HEM801 3.4 28.8 1.0
C2 A:6KJ804 3.5 55.3 1.0
CHC A:HEM801 3.5 29.8 1.0
CHA A:HEM801 3.5 30.6 1.0
CHB A:HEM801 3.5 30.9 1.0
NH1 A:6KJ804 3.9 56.2 1.0
CA A:CYS415 4.1 26.2 1.0
C3C A:HEM801 4.3 28.1 1.0
NE1 A:TRP409 4.4 27.7 1.0
C2A A:HEM801 4.4 31.2 1.0
C2D A:HEM801 4.4 30.9 1.0
C3D A:HEM801 4.4 31.7 1.0
C2C A:HEM801 4.4 29.4 1.0
C3A A:HEM801 4.4 30.4 1.0
C3B A:HEM801 4.5 32.4 1.0
C1 A:6KJ804 4.5 56.5 1.0
C2B A:HEM801 4.5 32.6 1.0
OH A:6KJ804 4.5 54.2 1.0
C4 A:6KJ804 4.6 58.4 1.0
N A:GLY417 4.8 28.8 1.0
C A:CYS415 4.8 28.4 1.0
CZ A:6KJ804 4.9 52.6 1.0
CD1 A:TRP409 5.0 26.5 1.0

Iron binding site 2 out of 2 in 4gqe

Go back to Iron Binding Sites List in 4gqe
Iron binding site 2 out of 2 in the Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with (5E)-5-[(N-Tert-Butoxycarbamimidoyl)Imino]-L-Norvaline


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structure of Rat Neuronal Nitric Oxide Synthase Heme Domain in Complex with (5E)-5-[(N-Tert-Butoxycarbamimidoyl)Imino]-L-Norvaline within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe801

b:27.0
occ:1.00
FE B:HEM801 0.0 27.0 1.0
NC B:HEM801 2.0 22.9 1.0
NA B:HEM801 2.0 28.9 1.0
NB B:HEM801 2.0 26.2 1.0
ND B:HEM801 2.1 29.5 1.0
SG B:CYS415 2.3 25.7 1.0
C4B B:HEM801 3.0 27.9 1.0
C1D B:HEM801 3.1 28.4 1.0
C1C B:HEM801 3.1 22.8 1.0
C4C B:HEM801 3.1 23.8 1.0
C1A B:HEM801 3.1 24.9 1.0
C1B B:HEM801 3.1 25.8 1.0
C4A B:HEM801 3.1 28.4 1.0
C4D B:HEM801 3.1 26.7 1.0
C4 B:6KJ803 3.4 51.9 1.0
CB B:CYS415 3.4 22.4 1.0
CHC B:HEM801 3.4 24.6 1.0
CHD B:HEM801 3.4 26.1 1.0
CHB B:HEM801 3.5 26.4 1.0
CHA B:HEM801 3.5 24.8 1.0
NH1 B:6KJ803 4.0 56.1 1.0
CA B:CYS415 4.2 23.8 1.0
C3C B:HEM801 4.4 23.7 1.0
C3B B:HEM801 4.4 31.1 1.0
C2A B:HEM801 4.4 28.0 1.0
NE1 B:TRP409 4.4 25.7 1.0
C2C B:HEM801 4.4 23.4 1.0
C2D B:HEM801 4.4 29.4 1.0
C3D B:HEM801 4.4 28.8 1.0
C3A B:HEM801 4.4 27.1 1.0
C2B B:HEM801 4.4 28.1 1.0
C1 B:6KJ803 4.5 57.0 1.0
OH B:6KJ803 4.7 51.2 1.0
CZ B:6KJ803 4.7 52.8 1.0
C3 B:6KJ803 4.7 52.5 1.0
N B:GLY417 4.8 27.1 1.0
C B:CYS415 4.8 25.9 1.0
N B:VAL416 4.9 24.4 1.0
CD1 B:TRP409 5.0 24.5 1.0

Reference:

K.Jansen Labby, H.Li, L.J.Roman, P.Martasek, T.L.Poulos, R.B.Silverman. Methylated N(Omega)-Hydroxy-L-Arginine Analogues As Mechanistic Probes For the Second Step of the Nitric Oxide Synthase-Catalyzed Reaction Biochemistry V. 52 3062 2013.
ISSN: ISSN 0006-2960
PubMed: 23586781
DOI: 10.1021/BI301571V
Page generated: Mon Aug 5 03:02:26 2024

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