Iron in PDB 3g5f: Crystallographic Analysis of Cytochrome P450 CYP121

The structure of Crystallographic Analysis of Cytochrome P450 CYP121, PDB code: 3g5f was solved by P.Belin, M.H.Le Du, M.Gondry, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.70 / 1.40
Space group	P 65 2 2
Cell size a, b, c (Å), α, β, γ (°)	77.373, 77.373, 264.050, 90.00, 90.00, 120.00
R / Rfree (%)	15.9 / 19

The binding sites of Iron atom in the Crystallographic Analysis of Cytochrome P450 CYP121 (pdb code 3g5f). 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 Crystallographic Analysis of Cytochrome P450 CYP121, PDB code: 3g5f:

Iron binding site 1 out of 1 in the Crystallographic Analysis of 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 Crystallographic Analysis of Cytochrome P450 CYP121 within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe462 b:8.2 occ:1.00 FE A:HEM462 0.0 8.2 1.0 NB A:HEM462 2.0 6.8 1.0 NA A:HEM462 2.0 7.1 1.0 ND A:HEM462 2.0 7.5 1.0 NC A:HEM462 2.0 7.5 1.0 SG A:CYS345 2.4 9.5 1.0 O A:HOH775 2.5 17.2 1.0 C4B A:HEM462 3.0 7.5 1.0 C1C A:HEM462 3.0 7.9 1.0 C1B A:HEM462 3.0 6.5 1.0 C1A A:HEM462 3.1 6.9 1.0 C1D A:HEM462 3.1 7.8 1.0 C4C A:HEM462 3.1 7.7 1.0 C4D A:HEM462 3.1 7.4 1.0 C4A A:HEM462 3.1 6.2 1.0 CB A:CYS345 3.4 9.2 1.0 CHC A:HEM462 3.4 8.0 1.0 CHD A:HEM462 3.4 8.2 1.0 CHA A:HEM462 3.4 7.2 1.0 CHB A:HEM462 3.4 7.0 1.0 CA A:CYS345 4.2 8.5 1.0 C3B A:HEM462 4.3 7.5 1.0 C3C A:HEM462 4.3 8.9 1.0 C2A A:HEM462 4.3 6.6 1.0 C2C A:HEM462 4.3 8.2 1.0 C2B A:HEM462 4.3 7.3 1.0 C3A A:HEM462 4.3 6.2 1.0 C2D A:HEM462 4.3 9.7 1.0 C3D A:HEM462 4.3 8.3 1.0 O A:HOH776 4.4 33.3 1.0 OG A:SER237 4.6 7.9 1.0 CD A:PRO346 4.7 9.1 1.0 CB A:SER237 4.9 7.6 1.0 N A:GLY347 4.9 9.8 1.0 C A:CYS345 4.9 9.4 1.0

P.Belin, M.H.Le Du, A.Fielding, O.Lequin, M.Jacquet, J.B.Charbonnier, A.Lecoq, R.Thai, M.Courcon, C.Masson, C.Dugave, R.Genet, J.L.Pernodet, M.Gondry. Identification and Structural Basis of the Reaction Catalyzed By CYP121, An Essential Cytochrome P450 in Mycobacterium Tuberculosis. Proc.Natl.Acad.Sci.Usa V. 106 7426 2009.
ISSN: ISSN 0027-8424
PubMed: 19416919
DOI: 10.1073/PNAS.0812191106