Iron in PDB 3dwj: Heme-Proximal W188H Mutant of Inducible Nitric Oxide Synthase

All present enzymatic activity of Heme-Proximal W188H Mutant of Inducible Nitric Oxide Synthase:
1.14.13.39;

The structure of Heme-Proximal W188H Mutant of Inducible Nitric Oxide Synthase, PDB code: 3dwj was solved by J.Tejero, A.Biswas, Z.-Q.Wang, M.M.Haque, C.Hemann, J.L.Zweier, R.C.Page, S.Misra, D.J.Stuehr, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.77 / 2.75
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	214.597, 214.597, 111.933, 90.00, 90.00, 120.00
R / Rfree (%)	22.6 / 29.4

The binding sites of Iron atom in the Heme-Proximal W188H Mutant of Inducible Nitric Oxide Synthase (pdb code 3dwj). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Heme-Proximal W188H Mutant of Inducible Nitric Oxide Synthase, PDB code: 3dwj:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Heme-Proximal W188H Mutant of Inducible Nitric Oxide Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Heme-Proximal W188H Mutant of Inducible Nitric Oxide Synthase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe901 b:51.5 occ:1.00 FE A:HEM901 0.0 51.5 1.0 NC A:HEM901 2.0 55.5 1.0 NA A:HEM901 2.1 57.6 1.0 NB A:HEM901 2.1 60.1 1.0 ND A:HEM901 2.2 52.5 1.0 SG A:CYS194 2.4 48.9 1.0 C4C A:HEM901 3.0 57.1 1.0 C1C A:HEM901 3.0 60.9 1.0 C4B A:HEM901 3.0 64.3 1.0 C1B A:HEM901 3.1 56.4 1.0 C4A A:HEM901 3.1 54.3 1.0 C1A A:HEM901 3.1 55.0 1.0 C1D A:HEM901 3.1 55.0 1.0 C4D A:HEM901 3.2 50.5 1.0 CHD A:HEM901 3.4 61.4 1.0 CB A:CYS194 3.4 60.9 1.0 CHC A:HEM901 3.4 64.2 1.0 CHB A:HEM901 3.4 49.3 1.0 CHA A:HEM901 3.5 56.5 1.0 O A:HOH1043 3.9 80.4 1.0 CA A:CYS194 4.2 57.0 1.0 C3C A:HEM901 4.2 64.1 1.0 C2C A:HEM901 4.2 60.9 1.0 C3B A:HEM901 4.2 69.0 1.0 C2B A:HEM901 4.3 63.2 1.0 C3A A:HEM901 4.3 50.9 1.0 C2A A:HEM901 4.3 48.8 1.0 C2D A:HEM901 4.4 43.1 1.0 C3D A:HEM901 4.4 39.9 1.0 NE2 A:HIS188 4.5 66.5 1.0 N A:GLY196 4.8 59.5 1.0 N A:NH4497 4.8 43.1 1.0 C A:CYS194 4.8 57.3 1.0 N A:ILE195 4.9 45.9 1.0 CD2 A:HIS188 4.9 61.6 1.0

Iron binding site 2 out of 2 in the Heme-Proximal W188H Mutant of Inducible Nitric Oxide Synthase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Heme-Proximal W188H Mutant of Inducible Nitric Oxide Synthase within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe901 b:46.4 occ:1.00 FE B:HEM901 0.0 46.4 1.0 NC B:HEM901 2.0 65.3 1.0 NB B:HEM901 2.0 68.8 1.0 NA B:HEM901 2.0 43.6 1.0 ND B:HEM901 2.2 49.1 1.0 SG B:CYS194 2.7 48.0 1.0 C1C B:HEM901 3.0 66.9 1.0 C4B B:HEM901 3.0 65.5 1.0 C4C B:HEM901 3.0 58.6 1.0 C4A B:HEM901 3.1 42.4 1.0 C1A B:HEM901 3.1 45.8 1.0 C1B B:HEM901 3.1 61.6 1.0 C1D B:HEM901 3.2 46.0 1.0 C4D B:HEM901 3.2 47.8 1.0 CB B:CYS194 3.3 65.2 1.0 CHC B:HEM901 3.3 68.2 1.0 CHB B:HEM901 3.4 50.6 1.0 CHD B:HEM901 3.5 52.0 1.0 CHA B:HEM901 3.5 51.3 1.0 CA B:CYS194 4.1 57.1 1.0 C2C B:HEM901 4.2 56.2 1.0 C3C B:HEM901 4.2 53.6 1.0 C3B B:HEM901 4.2 61.2 1.0 C3A B:HEM901 4.3 42.2 1.0 C2B B:HEM901 4.3 57.8 1.0 C2A B:HEM901 4.3 43.2 1.0 NE2 B:HIS188 4.3 49.0 1.0 C2D B:HEM901 4.4 36.4 1.0 C3D B:HEM901 4.5 35.2 1.0 N B:NH41 4.5 57.1 1.0 CD2 B:HIS188 4.8 55.6 1.0 C B:CYS194 5.0 53.4 1.0

J.Tejero, A.Biswas, Z.Q.Wang, R.C.Page, M.M.Haque, C.Hemann, J.L.Zweier, S.Misra, D.J.Stuehr. Stabilization and Characterization of A Heme-Oxy Reaction Intermediate in Inducible Nitric-Oxide Synthase J.Biol.Chem. V. 283 33498 2008.
ISSN: ISSN 0021-9258
PubMed: 18815130
DOI: 10.1074/JBC.M806122200