Iron in PDB 2uuq: Crystal Structure of CYP130 From Mycobacterium Tuberculosis in the Ligand-Free Form

The structure of Crystal Structure of CYP130 From Mycobacterium Tuberculosis in the Ligand-Free Form, PDB code: 2uuq was solved by L.M.Podust, P.R.Ortiz De Montellano, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	79.56 / 1.46
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	160.005, 53.854, 43.726, 90.00, 96.49, 90.00
R / Rfree (%)	19.6 / 22.7

The binding sites of Iron atom in the Crystal Structure of CYP130 From Mycobacterium Tuberculosis in the Ligand-Free Form (pdb code 2uuq). 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 CYP130 From Mycobacterium Tuberculosis in the Ligand-Free Form, PDB code: 2uuq:

Iron binding site 1 out of 1 in the Crystal Structure of CYP130 From Mycobacterium Tuberculosis in the Ligand-Free Form


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 CYP130 From Mycobacterium Tuberculosis in the Ligand-Free Form within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1405 b:12.5 occ:1.00 FE A:HEM1405 0.0 12.5 1.0 ND A:HEM1405 2.0 12.8 1.0 NC A:HEM1405 2.0 11.6 1.0 NB A:HEM1405 2.0 11.9 1.0 NA A:HEM1405 2.0 12.2 1.0 O A:HOH2192 2.2 17.7 1.0 SG A:CYS354 2.3 12.7 1.0 C4C A:HEM1405 3.0 11.8 1.0 C1D A:HEM1405 3.0 13.6 1.0 C4B A:HEM1405 3.0 11.8 1.0 C4A A:HEM1405 3.1 12.6 1.0 C4D A:HEM1405 3.1 12.1 1.0 C1C A:HEM1405 3.1 11.3 1.0 C1B A:HEM1405 3.1 12.1 1.0 C1A A:HEM1405 3.1 11.5 1.0 CB A:CYS354 3.4 12.7 1.0 CHD A:HEM1405 3.4 12.1 1.0 CHB A:HEM1405 3.4 13.3 1.0 CHA A:HEM1405 3.4 12.5 1.0 CHC A:HEM1405 3.4 12.5 1.0 CA A:CYS354 4.1 12.4 1.0 O A:GLY243 4.1 14.7 1.0 C3B A:HEM1405 4.3 12.4 1.0 C2C A:HEM1405 4.3 11.6 1.0 C3C A:HEM1405 4.3 11.7 1.0 C3A A:HEM1405 4.3 12.1 1.0 C3D A:HEM1405 4.3 13.1 1.0 C2D A:HEM1405 4.3 13.4 1.0 C2B A:HEM1405 4.3 12.6 1.0 C2A A:HEM1405 4.3 14.0 1.0 O A:HOH2293 4.3 25.0 1.0 O A:HOH2292 4.5 56.0 1.0 N A:GLY356 4.7 13.8 1.0 C A:CYS354 4.8 12.9 1.0 C A:GLY243 4.8 14.5 1.0 N A:LEU355 4.8 13.2 1.0

H.Ouellet, L.M.Podust, P.R.Ortiz De Montellano. Mycobacterium Tuberculosis CYP130:Crystal Mycobacterium Tuberculosis CYP130: Crystal Structure, Biophysical Characterization, and Interactions with Antifungal Azole Drugs. J.Biol.Chem. V. 283 5069 2008.
ISSN: ISSN 0021-9258
PubMed: 18089574
DOI: 10.1074/JBC.M708734200