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Iron in PDB 1qw4: Crystal Structure of Murine Inducible Nitric Oxide Synthase Oxygenase Domain in Complex with N-Omega-Propyl-L-Arginine.

Enzymatic activity of Crystal Structure of Murine Inducible Nitric Oxide Synthase Oxygenase Domain in Complex with N-Omega-Propyl-L-Arginine.

All present enzymatic activity of Crystal Structure of Murine Inducible Nitric Oxide Synthase Oxygenase Domain in Complex with N-Omega-Propyl-L-Arginine.:
1.14.13.39;

Protein crystallography data

The structure of Crystal Structure of Murine Inducible Nitric Oxide Synthase Oxygenase Domain in Complex with N-Omega-Propyl-L-Arginine., PDB code: 1qw4 was solved by R.Fedorov, E.Hartmann, D.K.Ghosh, I.Schlichting, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 8.00 / 2.40
Space group P 61 2 2
Cell size a, b, c (Å), α, β, γ (°) 214.603, 214.603, 117.464, 90.00, 90.00, 120.00
R / Rfree (%) 21.3 / 25.1

Other elements in 1qw4:

The structure of Crystal Structure of Murine Inducible Nitric Oxide Synthase Oxygenase Domain in Complex with N-Omega-Propyl-L-Arginine. also contains other interesting chemical elements:

Zinc (Zn) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Murine Inducible Nitric Oxide Synthase Oxygenase Domain in Complex with N-Omega-Propyl-L-Arginine. (pdb code 1qw4). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Murine Inducible Nitric Oxide Synthase Oxygenase Domain in Complex with N-Omega-Propyl-L-Arginine., PDB code: 1qw4:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 1qw4

Go back to Iron Binding Sites List in 1qw4
Iron binding site 1 out of 2 in the Crystal Structure of Murine Inducible Nitric Oxide Synthase Oxygenase Domain in Complex with N-Omega-Propyl-L-Arginine.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Murine Inducible Nitric Oxide Synthase Oxygenase Domain in Complex with N-Omega-Propyl-L-Arginine. within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe900

b:37.0
occ:1.00
FE A:HEM900 0.0 37.0 1.0
ND A:HEM900 2.0 36.1 1.0
NA A:HEM900 2.0 38.4 1.0
NC A:HEM900 2.0 54.0 1.0
NB A:HEM900 2.1 43.6 1.0
SG A:CYS194 2.5 31.0 1.0
C4D A:HEM900 3.0 42.2 1.0
C1D A:HEM900 3.1 38.7 1.0
C1C A:HEM900 3.1 47.6 1.0
C4C A:HEM900 3.1 49.5 1.0
C4A A:HEM900 3.1 33.5 1.0
C1A A:HEM900 3.1 41.2 1.0
C4B A:HEM900 3.1 41.4 1.0
C1B A:HEM900 3.1 42.1 1.0
CB A:CYS194 3.4 42.1 1.0
CHD A:HEM900 3.4 40.3 1.0
CHC A:HEM900 3.4 37.8 1.0
CHA A:HEM900 3.4 40.5 1.0
CHB A:HEM900 3.5 34.4 1.0
C1 A:3AR902 3.5 57.2 1.0
CA A:CYS194 4.1 34.2 1.0
C3D A:HEM900 4.3 35.6 1.0
C2C A:HEM900 4.3 54.0 1.0
C2A A:HEM900 4.3 35.6 1.0
C2D A:HEM900 4.3 33.2 1.0
C3A A:HEM900 4.3 38.5 1.0
C3C A:HEM900 4.3 56.8 1.0
C3B A:HEM900 4.4 41.2 1.0
C2B A:HEM900 4.4 43.6 1.0
C2 A:3AR902 4.5 45.2 1.0
NE1 A:TRP188 4.5 43.2 1.0
NH2 A:3AR902 4.5 54.5 1.0
NH1 A:3AR902 4.6 58.5 1.0
CZ A:3AR902 4.8 62.6 1.0
N A:ILE195 4.8 34.2 1.0
C A:CYS194 4.8 32.3 1.0
N A:GLY196 4.8 35.0 1.0

Iron binding site 2 out of 2 in 1qw4

Go back to Iron Binding Sites List in 1qw4
Iron binding site 2 out of 2 in the Crystal Structure of Murine Inducible Nitric Oxide Synthase Oxygenase Domain in Complex with N-Omega-Propyl-L-Arginine.


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Murine Inducible Nitric Oxide Synthase Oxygenase Domain in Complex with N-Omega-Propyl-L-Arginine. within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe900

b:38.3
occ:1.00
FE B:HEM900 0.0 38.3 1.0
ND B:HEM900 1.9 37.7 1.0
NA B:HEM900 2.0 38.5 1.0
NB B:HEM900 2.1 41.9 1.0
NC B:HEM900 2.1 58.6 1.0
SG B:CYS194 2.4 32.4 1.0
C1D B:HEM900 3.0 43.6 1.0
C4D B:HEM900 3.0 40.4 1.0
C4A B:HEM900 3.0 31.0 1.0
C1A B:HEM900 3.1 39.5 1.0
C1B B:HEM900 3.1 39.2 1.0
C4C B:HEM900 3.1 53.8 1.0
C1C B:HEM900 3.1 51.8 1.0
C4B B:HEM900 3.1 42.7 1.0
CB B:CYS194 3.3 42.4 1.0
CHD B:HEM900 3.4 48.5 1.0
CHA B:HEM900 3.4 41.7 1.0
CHB B:HEM900 3.4 31.5 1.0
CHC B:HEM900 3.5 45.8 1.0
C1 B:3AR904 3.6 51.0 1.0
CA B:CYS194 4.0 31.8 1.0
C3D B:HEM900 4.2 33.0 1.0
C2D B:HEM900 4.2 39.4 1.0
C2A B:HEM900 4.3 29.9 1.0
C3A B:HEM900 4.3 33.1 1.0
C2B B:HEM900 4.3 40.8 1.0
C2C B:HEM900 4.4 53.9 1.0
C3C B:HEM900 4.4 52.2 1.0
C3B B:HEM900 4.4 38.2 1.0
NE1 B:TRP188 4.4 41.8 1.0
C2 B:3AR904 4.4 46.8 1.0
C B:CYS194 4.8 29.4 1.0
NH1 B:3AR904 4.8 50.0 1.0
N B:GLY196 4.8 37.3 1.0
NH2 B:3AR904 4.9 57.2 1.0
N B:ILE195 4.9 29.6 1.0

Reference:

R.Fedorov, E.Hartmann, D.K.Ghosh, I.Schlichting. Structural Basis For the Specificity of the Nitric-Oxide Synthase Inhibitors W1400 and Nomega-Propyl-L-Arg For the Inducible and Neuronal Isoforms. J.Biol.Chem. V. 278 45818 2003.
ISSN: ISSN 0021-9258
PubMed: 12954642
DOI: 10.1074/JBC.M306030200
Page generated: Sat Aug 3 13:54:24 2024

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