Iron in PDB 4js9: Structural Characterization of Inducible Nitric Oxide Synthase Substituted with Mesoheme

All present enzymatic activity of Structural Characterization of Inducible Nitric Oxide Synthase Substituted with Mesoheme:
1.14.13.39;

The structure of Structural Characterization of Inducible Nitric Oxide Synthase Substituted with Mesoheme, PDB code: 4js9 was solved by L.Hannibal, R.C.Page, K.Bolisetty, Z.Yu, S.Misra, D.J.Stuehr, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.09 / 2.78
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	215.039, 215.039, 115.547, 90.00, 90.00, 120.00
R / Rfree (%)	25 / 29

The binding sites of Iron atom in the Structural Characterization of Inducible Nitric Oxide Synthase Substituted with Mesoheme (pdb code 4js9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Structural Characterization of Inducible Nitric Oxide Synthase Substituted with Mesoheme, PDB code: 4js9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Structural Characterization of Inducible Nitric Oxide Synthase Substituted with Mesoheme


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structural Characterization of Inducible Nitric Oxide Synthase Substituted with Mesoheme within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe501 b:34.2 occ:1.00 FE A:MH0501 0.0 34.2 1.0 NC A:MH0501 2.0 35.2 1.0 ND A:MH0501 2.0 34.7 1.0 NB A:MH0501 2.0 36.0 1.0 NA A:MH0501 2.1 36.6 1.0 SG A:CYS194 2.6 32.1 1.0 C4C A:MH0501 3.0 37.4 1.0 C1C A:MH0501 3.0 38.9 1.0 C1D A:MH0501 3.0 41.3 1.0 C4D A:MH0501 3.0 33.8 1.0 C1B A:MH0501 3.1 30.9 1.0 C4B A:MH0501 3.1 34.0 1.0 C4A A:MH0501 3.1 28.1 1.0 C1A A:MH0501 3.1 35.1 1.0 CHD A:MH0501 3.4 40.4 1.0 CHB A:MH0501 3.4 28.5 1.0 CHA A:MH0501 3.4 33.1 1.0 CHC A:MH0501 3.4 34.8 1.0 CB A:CYS194 3.4 33.7 1.0 CA A:CYS194 4.2 32.0 1.0 C2C A:MH0501 4.2 38.2 1.0 C3C A:MH0501 4.2 37.9 1.0 C2B A:MH0501 4.2 32.0 1.0 C3B A:MH0501 4.3 34.0 1.0 C3D A:MH0501 4.3 28.5 1.0 C3A A:MH0501 4.3 30.6 1.0 C2A A:MH0501 4.3 33.8 1.0 C2D A:MH0501 4.3 29.2 1.0 O A:HOH688 4.7 33.5 1.0 N A:ILE195 4.8 32.0 1.0 NE1 A:TRP188 4.8 37.6 1.0 C A:CYS194 4.9 33.1 1.0

Iron binding site 2 out of 2 in the Structural Characterization of Inducible Nitric Oxide Synthase Substituted with Mesoheme


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Structural Characterization of Inducible Nitric Oxide Synthase Substituted with Mesoheme within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe900 b:36.0 occ:1.00 FE B:MH0900 0.0 36.0 1.0 ND B:MH0900 2.0 32.0 1.0 NA B:MH0900 2.0 32.3 1.0 NC B:MH0900 2.1 42.3 1.0 NB B:MH0900 2.1 36.2 1.0 SG B:CYS194 2.6 31.4 1.0 C1D B:MH0900 3.0 35.1 1.0 C4D B:MH0900 3.0 35.1 1.0 C4C B:MH0900 3.0 40.1 1.0 C4A B:MH0900 3.1 30.1 1.0 C1B B:MH0900 3.1 38.3 1.0 C1A B:MH0900 3.1 35.8 1.0 C1C B:MH0900 3.1 40.2 1.0 C4B B:MH0900 3.1 33.1 1.0 CHD B:MH0900 3.4 40.6 1.0 CHB B:MH0900 3.4 33.1 1.0 CHA B:MH0900 3.4 32.3 1.0 CHC B:MH0900 3.4 37.6 1.0 CB B:CYS194 3.5 35.9 1.0 O B:HOH1072 4.2 36.7 1.0 C3D B:MH0900 4.2 30.1 1.0 C3C B:MH0900 4.2 33.9 1.0 C3A B:MH0900 4.3 32.1 1.0 C2B B:MH0900 4.3 35.7 1.0 C2D B:MH0900 4.3 29.0 1.0 C2C B:MH0900 4.3 38.3 1.0 C3B B:MH0900 4.3 35.8 1.0 C2A B:MH0900 4.3 33.8 1.0 CA B:CYS194 4.3 32.5 1.0 NE1 B:TRP188 4.8 36.7 1.0 O B:HOH1066 5.0 36.3 1.0

L.Hannibal, R.C.Page, K.Bolisetty, Z.Yu, S.Misra, D.J.Stuehr. Kinetic and Structural Characterization of Inducible Nitric Oxide Synthase Substituted with Mesoheme To Be Published.