Iron in PDB 2xkr: Crystal Structure of Mycobacterium Tuberculosis CYP142: A Novel Cholesterol Oxidase

The structure of Crystal Structure of Mycobacterium Tuberculosis CYP142: A Novel Cholesterol Oxidase, PDB code: 2xkr was solved by M.Driscoll, K.J.Mclean, C.W.Levy, P.Lafite, N.Mast, I.A.Pikuleva, S.E.J.Rigby, D.Leys, A.W.Munro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.16 / 1.60
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	55.310, 65.460, 129.470, 90.00, 90.00, 90.00
R / Rfree (%)	16.8 / 19.6

The binding sites of Iron atom in the Crystal Structure of Mycobacterium Tuberculosis CYP142: A Novel Cholesterol Oxidase (pdb code 2xkr). 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 Crystal Structure of Mycobacterium Tuberculosis CYP142: A Novel Cholesterol Oxidase, PDB code: 2xkr:

Iron binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis CYP142: A Novel Cholesterol Oxidase


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Crystal Structure of Mycobacterium Tuberculosis CYP142: A Novel Cholesterol Oxidase within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1400 b:11.4 occ:1.00 FE A:HEM1400 0.0 11.4 1.0 NB A:HEM1400 2.0 9.1 1.0 NC A:HEM1400 2.0 11.3 1.0 NA A:HEM1400 2.1 11.0 1.0 ND A:HEM1400 2.1 10.2 1.0 O3 A:PG41399 2.2 15.9 1.0 SG A:CYS340 2.3 11.8 1.0 C4B A:HEM1400 3.1 8.4 1.0 C1C A:HEM1400 3.1 9.5 1.0 C4D A:HEM1400 3.1 10.8 1.0 C1B A:HEM1400 3.1 11.7 1.0 C4C A:HEM1400 3.1 10.6 1.0 C1D A:HEM1400 3.1 13.9 1.0 C1A A:HEM1400 3.1 10.3 1.0 C4A A:HEM1400 3.1 11.0 1.0 CB A:CYS340 3.4 11.0 1.0 C4 A:PG41399 3.4 27.6 1.0 CHA A:HEM1400 3.4 11.7 1.0 CHC A:HEM1400 3.4 9.4 1.0 CHD A:HEM1400 3.4 10.8 1.0 CHB A:HEM1400 3.4 9.5 1.0 CA A:CYS340 4.1 11.9 1.0 O A:GLY230 4.1 11.6 1.0 C3C A:HEM1400 4.3 10.9 1.0 C3B A:HEM1400 4.3 10.7 1.0 C2C A:HEM1400 4.3 10.1 1.0 C2B A:HEM1400 4.3 10.0 1.0 C2D A:HEM1400 4.3 14.0 1.0 C3D A:HEM1400 4.3 14.9 1.0 C3A A:HEM1400 4.3 11.7 1.0 C2A A:HEM1400 4.3 11.5 1.0 C3 A:PG41399 4.4 28.7 1.0 C A:GLY230 4.7 11.8 1.0 C A:CYS340 4.7 13.1 1.0 N A:GLY342 4.7 11.8 1.0 N A:LEU341 4.8 11.0 1.0

M.D.Driscoll, K.J.Mclean, C.W.Levy, N.Mast, I.A.Pikuleva, P.Lafite, S.E.J.Rigby, D.Leys, A.W.Munro. Structural and Biochemical Characterization of Mycobacterium Tuberculosis CYP142: Evidence For Multiple Cholesterol 27-Hydroxylase Activities in A Human Pathogen. J.Biol.Chem. V. 285 38270 2010.
ISSN: ISSN 0021-9258
PubMed: 20889498
DOI: 10.1074/JBC.M110.164293