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Zinc 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:

Iron (Fe) 2 atoms

Zinc Binding Sites:

The binding sites of Zinc 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 Zinc atom.
In total 2 binding sites of Zinc 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 Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in 1qw4

Go back to Zinc Binding Sites List in 1qw4
Zinc 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 Zinc with other atoms in the Zn 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:Zn950

b:63.2
occ:0.50
 SG A:CYS104 2.0 61.1 1.0
SG A:CYS109 2.5 79.7 1.0
CB A:CYS104 3.1 80.1 1.0
CB A:CYS109 3.7 47.0 1.0
CA A:CYS109 4.0 56.4 1.0
N A:GLY111 4.4 44.1 1.0
N A:LEU110 4.5 57.9 1.0
CA A:CYS104 4.5 81.0 1.0
C A:CYS109 4.6 56.5 1.0
CA A:GLY111 4.7 42.5 1.0
N A:CYS104 4.9 75.1 1.0

Zinc binding site 2 out of 2 in 1qw4

Go back to Zinc Binding Sites List in 1qw4
Zinc 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 Zinc with other atoms in the Zn 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:Zn950

b:53.7
occ:0.50
 SG B:CYS104 2.1 48.5 1.0
SG B:CYS109 2.5 71.5 1.0
CB B:CYS104 3.2 66.6 1.0
CB B:CYS109 3.5 63.0 1.0
CA B:CYS109 3.9 63.1 1.0
N B:LEU110 4.5 52.8 1.0
C B:CYS109 4.5 60.5 1.0
CA B:CYS104 4.5 69.6 1.0
N B:GLY111 4.6 41.5 1.0
CA B:GLY111 4.8 42.8 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: Wed Oct 16 18:16:51 2024

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