Zinc in PDB 1vaf: Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477

All present enzymatic activity of Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477:
1.14.13.39;

The structure of Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477, PDB code: 1vaf was solved by R.Fedorov, R.Vasan, 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 / 2.90
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	216.344, 216.344, 117.835, 90.00, 90.00, 120.00
R / Rfree (%)	20.7 / 26.2

The structure of Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477 also contains other interesting chemical elements:

Iron	(Fe)	2 atoms
Chlorine	(Cl)	4 atoms

The binding sites of Zinc atom in the Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477 (pdb code 1vaf). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477, PDB code: 1vaf:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn950 b:55.2 occ:0.50 SG A:CYS104 2.0 77.7 1.0 SG A:CYS109 2.7 68.9 1.0 CB A:CYS104 3.1 82.0 1.0 CB A:CYS109 3.6 71.1 1.0 CA A:CYS109 4.0 71.8 1.0 N A:GLY111 4.1 65.0 1.0 N A:LEU110 4.2 68.5 1.0 CA A:GLY111 4.3 62.3 1.0 C A:CYS109 4.4 70.2 1.0 CA A:CYS104 4.5 84.3 1.0 C A:LEU110 4.9 65.9 1.0 N A:CYS104 4.9 85.0 1.0

Zinc binding site 2 out of 2 in the Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Inducible Nitric Oxide Synthase Oxygenase Domain Complexed with the Inhibitor Ar-R17477 within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn950 b:53.6 occ:0.50 SG B:CYS104 2.1 85.8 1.0 SG B:CYS109 2.5 69.4 1.0 CB B:CYS104 3.0 87.6 1.0 CB B:CYS109 3.4 73.5 1.0 CA B:CYS109 3.8 75.2 1.0 N B:GLY111 4.3 71.3 1.0 N B:LEU110 4.3 73.8 1.0 CA B:CYS104 4.4 88.8 1.0 C B:CYS109 4.5 74.5 1.0 CA B:GLY111 4.5 68.7 1.0 N B:CYS104 4.8 88.9 1.0 O B:SER108 5.0 80.7 1.0

R.Fedorov, R.Vasan, D.K.Ghosh, I.Schlichting. Structures of Nitric Oxide Synthase Isoforms Complexed with the Inhibitor Ar-R17477 Suggest A Rational Basis For Specificity and Inhibitor Design Proc.Natl.Acad.Sci.Usa V. 101 5892 2004.
ISSN: ISSN 0027-8424
PubMed: 15071192
DOI: 10.1073/PNAS.0306588101