Iron in PDB 1m8i: Inducible Nitric Oxide Synthase with 5-Nitroindazole Bound

All present enzymatic activity of Inducible Nitric Oxide Synthase with 5-Nitroindazole Bound:
1.14.13.39;

The structure of Inducible Nitric Oxide Synthase with 5-Nitroindazole Bound, PDB code: 1m8i was solved by R.J.Rosenfeld, E.D.Garcin, K.Panda, G.Andersson, A.Aberg, A.V.Wallace, D.J.Stuehr, J.A.Tainer, E.D.Getzoff, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	19.93 / 2.70
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	213.962, 213.962, 114.524, 90.00, 90.00, 120.00
R / Rfree (%)	23.8 / 28.3

The binding sites of Iron atom in the Inducible Nitric Oxide Synthase with 5-Nitroindazole Bound (pdb code 1m8i). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Inducible Nitric Oxide Synthase with 5-Nitroindazole Bound, PDB code: 1m8i:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Inducible Nitric Oxide Synthase with 5-Nitroindazole Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Inducible Nitric Oxide Synthase with 5-Nitroindazole Bound within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe901 b:36.7 occ:1.00 FE A:HEM901 0.0 36.7 1.0 NA A:HEM901 2.0 38.4 1.0 NC A:HEM901 2.0 34.5 1.0 ND A:HEM901 2.0 38.3 1.0 NB A:HEM901 2.1 36.5 1.0 SG A:CYS194 2.3 41.9 1.0 C4C A:HEM901 3.0 35.9 1.0 C4A A:HEM901 3.1 39.2 1.0 C1D A:HEM901 3.1 37.6 1.0 C1B A:HEM901 3.1 36.6 1.0 C1C A:HEM901 3.1 34.4 1.0 C1A A:HEM901 3.1 41.4 1.0 C4D A:HEM901 3.1 38.6 1.0 C4B A:HEM901 3.1 36.1 1.0 CB A:CYS194 3.3 43.0 1.0 CHD A:HEM901 3.4 35.3 1.0 CHB A:HEM901 3.4 36.6 1.0 CHA A:HEM901 3.4 39.5 1.0 CHC A:HEM901 3.5 34.9 1.0 C6 A:5NI906 4.0 66.8 0.8 O11 A:5NI906 4.0 70.4 0.8 CA A:CYS194 4.1 43.3 1.0 C5 A:5NI906 4.1 66.4 0.8 N10 A:5NI906 4.1 68.4 0.8 C3C A:HEM901 4.3 35.4 1.0 C2C A:HEM901 4.3 35.2 1.0 C2B A:HEM901 4.3 36.0 1.0 C3A A:HEM901 4.3 41.0 1.0 C2D A:HEM901 4.3 36.6 1.0 C3D A:HEM901 4.3 36.7 1.0 C2A A:HEM901 4.4 41.4 1.0 C3B A:HEM901 4.4 36.6 1.0 NE1 A:TRP188 4.4 45.1 1.0 C7 A:5NI906 4.7 65.0 0.8 O12 A:5NI906 4.7 69.7 0.8 N A:GLY196 4.8 41.0 1.0 C4 A:5NI906 4.8 63.5 0.8 N A:ILE195 4.8 42.9 1.0 C A:CYS194 4.8 44.5 1.0

Iron binding site 2 out of 2 in the Inducible Nitric Oxide Synthase with 5-Nitroindazole Bound


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Inducible Nitric Oxide Synthase with 5-Nitroindazole Bound within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe901 b:40.7 occ:1.00 FE B:HEM901 0.0 40.7 1.0 ND B:HEM901 2.0 39.2 1.0 NC B:HEM901 2.0 40.4 1.0 NA B:HEM901 2.0 41.5 1.0 NB B:HEM901 2.0 41.5 1.0 SG B:CYS194 2.4 43.1 1.0 C1B B:HEM901 3.0 41.7 1.0 C4D B:HEM901 3.0 40.2 1.0 C1D B:HEM901 3.0 39.6 1.0 C4A B:HEM901 3.0 41.8 1.0 C1C B:HEM901 3.0 40.7 1.0 C4C B:HEM901 3.1 40.0 1.0 C1A B:HEM901 3.1 41.7 1.0 C4B B:HEM901 3.1 40.7 1.0 CB B:CYS194 3.4 43.3 1.0 CHD B:HEM901 3.4 37.9 1.0 CHB B:HEM901 3.4 41.4 1.0 CHC B:HEM901 3.4 41.3 1.0 CHA B:HEM901 3.4 40.4 1.0 O11 B:5NI907 3.8 71.5 0.8 C6 B:5NI907 3.9 68.8 0.8 C5 B:5NI907 3.9 69.7 0.8 N10 B:5NI907 4.0 70.3 0.8 CA B:CYS194 4.1 43.1 1.0 C2B B:HEM901 4.3 42.4 1.0 C2A B:HEM901 4.3 43.1 1.0 C3A B:HEM901 4.3 42.1 1.0 C2C B:HEM901 4.3 40.8 1.0 C3D B:HEM901 4.3 39.0 1.0 C2D B:HEM901 4.3 38.7 1.0 C3C B:HEM901 4.3 40.5 1.0 C3B B:HEM901 4.3 41.8 1.0 NE1 B:TRP188 4.5 45.6 1.0 C7 B:5NI907 4.6 68.1 0.8 C4 B:5NI907 4.6 68.3 0.8 O12 B:5NI907 4.7 72.1 0.8 C B:CYS194 4.8 42.9 1.0 N B:ILE195 4.9 41.0 1.0 N B:GLY196 5.0 40.6 1.0

R.J.Rosenfeld, E.D.Garcin, K.Panda, G.Andersson, A.Aberg, A.V.Wallace, G.M.Morris, A.J.Olson, D.J.Stuehr, J.A.Tainer, E.D.Getzoff. Conformational Changes in Nitric Oxide Synthases Induced By Chlorzoxazone and Nitroindazoles: Crystallographic and Computational Analyses of Inhibitor Potency Biochemistry V. 41 13915 2002.
ISSN: ISSN 0006-2960
PubMed: 12437348
DOI: 10.1021/BI026313J