Iron in PDB 4ips: Substrate and Reaction Specificity of Mycobacterium Tuberculosis Cytochrome P450 CYP121

The structure of Substrate and Reaction Specificity of Mycobacterium Tuberculosis Cytochrome P450 CYP121, PDB code: 4ips was solved by M.Fonvielle, M.H.Ledu, O.Lequin, A.Lecoq, M.Jacquet, R.Thai, S.Dubois, G.Grach, M.Gondry, P.Belin, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	17.57 / 1.20
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.300, 77.300, 261.890, 90.00, 90.00, 120.00
R / Rfree (%)	15.8 / 17.1

The binding sites of Iron atom in the Substrate and Reaction Specificity of Mycobacterium Tuberculosis Cytochrome P450 CYP121 (pdb code 4ips). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total only one binding site of Iron was determined in the Substrate and Reaction Specificity of Mycobacterium Tuberculosis Cytochrome P450 CYP121, PDB code: 4ips:

Iron binding site 1 out of 1 in the Substrate and Reaction Specificity of Mycobacterium Tuberculosis Cytochrome P450 CYP121


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Substrate and Reaction Specificity of Mycobacterium Tuberculosis Cytochrome P450 CYP121 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe401 b:8.9 occ:1.00 FE A:HEM401 0.0 8.9 1.0 NC A:HEM401 2.0 8.7 1.0 NA A:HEM401 2.0 8.4 1.0 ND A:HEM401 2.0 8.8 1.0 NB A:HEM401 2.0 8.2 1.0 O A:HOH724 2.3 18.0 1.0 SG A:CYS345 2.3 9.7 1.0 C4D A:HEM401 3.0 9.2 1.0 C1C A:HEM401 3.0 8.6 1.0 C4B A:HEM401 3.0 8.4 1.0 C1A A:HEM401 3.0 8.6 1.0 C1D A:HEM401 3.0 9.2 1.0 C1B A:HEM401 3.0 8.3 1.0 C4C A:HEM401 3.1 9.1 1.0 C4A A:HEM401 3.1 8.1 1.0 CB A:CYS345 3.4 8.6 1.0 CHC A:HEM401 3.4 9.1 1.0 CHA A:HEM401 3.4 9.2 1.0 CHD A:HEM401 3.4 9.7 1.0 CHB A:HEM401 3.4 8.6 1.0 CA A:CYS345 4.2 8.4 1.0 C2C A:HEM401 4.2 9.4 1.0 C3C A:HEM401 4.3 9.6 1.0 C3B A:HEM401 4.3 8.7 1.0 C3D A:HEM401 4.3 9.8 1.0 C2B A:HEM401 4.3 8.4 1.0 C2A A:HEM401 4.3 8.6 1.0 C2D A:HEM401 4.3 9.8 1.0 C3A A:HEM401 4.3 8.5 1.0 O1 A:SO4403 4.5 31.2 1.0 OG A:SER237 4.6 9.1 1.0 CD A:PRO346 4.8 9.6 1.0 C A:CYS345 4.9 8.7 1.0 CB A:SER237 4.9 8.5 1.0 N A:GLY347 4.9 9.9 1.0

M.Fonvielle, M.H.Le Du, O.Lequin, A.Lecoq, M.Jacquet, R.Thai, S.Dubois, G.Grach, M.Gondry, P.Belin. Substrate and Reaction Specificity of Mycobacterium Tuberculosis Cytochrome P450 CYP121: Insights From Biochemical Studies and Crystal Structures. J.Biol.Chem. V. 288 17347 2013.
ISSN: ISSN 0021-9258
PubMed: 23620594
DOI: 10.1074/JBC.M112.443853