Iron in PDB 3nqs: Crystal Structure of Inducible Nitric Oxide Synthase with N- Nitrosated-Pterin

All present enzymatic activity of Crystal Structure of Inducible Nitric Oxide Synthase with N- Nitrosated-Pterin:
1.14.13.39;

The structure of Crystal Structure of Inducible Nitric Oxide Synthase with N- Nitrosated-Pterin, PDB code: 3nqs was solved by R.J.Rosenfeld, E.D.Getzoff, J.A.Tainer, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.11 / 2.20
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	214.114, 214.114, 116.542, 90.00, 90.00, 120.00
R / Rfree (%)	20.4 / 22.9

The binding sites of Iron atom in the Crystal Structure of Inducible Nitric Oxide Synthase with N- Nitrosated-Pterin (pdb code 3nqs). 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 Inducible Nitric Oxide Synthase with N- Nitrosated-Pterin, PDB code: 3nqs:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Inducible Nitric Oxide Synthase with N- Nitrosated-Pterin


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 Inducible Nitric Oxide Synthase with N- Nitrosated-Pterin within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe901 b:30.2 occ:1.00 FE A:HEM901 0.0 30.2 1.0 NA A:HEM901 2.0 27.9 1.0 ND A:HEM901 2.0 27.8 1.0 NB A:HEM901 2.0 29.3 1.0 NC A:HEM901 2.0 30.7 1.0 SG A:CYS194 2.4 33.2 1.0 C4A A:HEM901 3.0 29.1 1.0 C1A A:HEM901 3.1 28.9 1.0 C1D A:HEM901 3.1 26.7 1.0 C1B A:HEM901 3.1 27.8 1.0 C4D A:HEM901 3.1 28.1 1.0 C4C A:HEM901 3.1 29.7 1.0 C1C A:HEM901 3.1 30.6 1.0 C4B A:HEM901 3.1 28.6 1.0 CB A:CYS194 3.4 28.9 1.0 CHB A:HEM901 3.4 27.2 1.0 CHD A:HEM901 3.4 29.8 1.0 CHA A:HEM901 3.4 29.4 1.0 CHC A:HEM901 3.4 30.3 1.0 C3 A:AT2906 3.9 25.7 1.0 C2 A:AT2906 4.0 29.1 1.0 C1 A:AT2906 4.0 23.9 1.0 CA A:CYS194 4.1 30.4 1.0 C3A A:HEM901 4.3 27.3 1.0 C2A A:HEM901 4.3 26.2 1.0 C2D A:HEM901 4.3 25.1 1.0 C3D A:HEM901 4.3 26.7 1.0 C2B A:HEM901 4.3 28.1 1.0 C3C A:HEM901 4.3 29.4 1.0 C2C A:HEM901 4.3 30.5 1.0 C3B A:HEM901 4.3 27.6 1.0 NE1 A:TRP188 4.4 30.7 1.0 C4 A:AT2906 4.6 25.6 1.0 C7 A:AT2906 4.8 23.9 1.0 N A:GLY196 4.8 31.1 1.0 C A:CYS194 4.9 29.4 1.0 N A:ILE195 4.9 30.0 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Inducible Nitric Oxide Synthase with N- Nitrosated-Pterin


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 Inducible Nitric Oxide Synthase with N- Nitrosated-Pterin within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe901 b:30.2 occ:1.00 FE B:HEM901 0.0 30.2 1.0 NA B:HEM901 2.0 26.8 1.0 NC B:HEM901 2.0 28.4 1.0 NB B:HEM901 2.0 28.9 1.0 ND B:HEM901 2.1 27.9 1.0 SG B:CYS194 2.4 32.5 1.0 C1C B:HEM901 3.0 29.0 1.0 C4A B:HEM901 3.1 28.1 1.0 C4C B:HEM901 3.1 27.8 1.0 C1B B:HEM901 3.1 26.9 1.0 C1A B:HEM901 3.1 28.1 1.0 C4D B:HEM901 3.1 27.9 1.0 C1D B:HEM901 3.1 27.9 1.0 C4B B:HEM901 3.1 28.2 1.0 CB B:CYS194 3.4 27.7 1.0 CHC B:HEM901 3.4 28.7 1.0 CHD B:HEM901 3.4 29.9 1.0 CHB B:HEM901 3.4 26.4 1.0 CHA B:HEM901 3.4 28.3 1.0 C3 B:AT2907 3.8 25.0 1.0 C2 B:AT2907 4.0 29.7 1.0 C1 B:AT2907 4.0 27.0 1.0 CA B:CYS194 4.2 30.2 1.0 C2C B:HEM901 4.3 30.4 1.0 C3A B:HEM901 4.3 26.3 1.0 C3C B:HEM901 4.3 28.1 1.0 C2A B:HEM901 4.3 24.3 1.0 C3D B:HEM901 4.3 28.6 1.0 C2D B:HEM901 4.3 28.9 1.0 C2B B:HEM901 4.3 27.0 1.0 NE1 B:TRP188 4.3 27.1 1.0 C3B B:HEM901 4.4 26.4 1.0 C4 B:AT2907 4.5 25.3 1.0 N B:GLY196 4.8 29.9 1.0 C7 B:AT2907 4.8 27.3 1.0 C B:CYS194 4.9 29.2 1.0 N B:ILE195 4.9 29.6 1.0 CD1 B:TRP188 5.0 28.1 1.0

R.J.Rosenfeld, J.Bonaventura, B.R.Szymczyna, M.J.Maccoss, A.S.Arvai, J.R.Yates, J.A.Tainer, E.D.Getzoff. Nitric-Oxide Synthase Forms N-No-Pterin and S-No-Cys: Implications For Activity, Allostery, and Regulation. J.Biol.Chem. V. 285 31581 2010.
ISSN: ISSN 0021-9258
PubMed: 20659888
DOI: 10.1074/JBC.M109.072496