Iron in PDB 2uvn: Crystal Structure of Econazole-Bound CYP130 From Mycobacterium Tuberculosis

The structure of Crystal Structure of Econazole-Bound CYP130 From Mycobacterium Tuberculosis, PDB code: 2uvn 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)	49.67 / 3.00
Space group	P 32 2 1
Cell size a, b, c (Å), α, β, γ (°)	130.676, 130.676, 229.357, 90.00, 90.00, 120.00
R / Rfree (%)	20 / 23.4

The structure of Crystal Structure of Econazole-Bound CYP130 From Mycobacterium Tuberculosis also contains other interesting chemical elements:

Fluorine	(F)	14 atoms
Chlorine	(Cl)	6 atoms

The binding sites of Iron atom in the Crystal Structure of Econazole-Bound CYP130 From Mycobacterium Tuberculosis (pdb code 2uvn). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Econazole-Bound CYP130 From Mycobacterium Tuberculosis, PDB code: 2uvn:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in the Crystal Structure of Econazole-Bound CYP130 From Mycobacterium Tuberculosis


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 Econazole-Bound CYP130 From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ A:Fe1408 b:45.7 occ:1.00 FE A:HEM1408 0.0 45.7 1.0 NB A:HEM1408 1.9 46.1 1.0 NC A:HEM1408 2.0 46.9 1.0 NA A:HEM1408 2.0 46.3 1.0 ND A:HEM1408 2.0 49.0 1.0 SG A:CYS354 2.7 57.6 1.0 N19 A:ECN1409 2.8 44.7 1.0 C1B A:HEM1408 3.0 46.3 1.0 C4B A:HEM1408 3.0 45.4 1.0 C4C A:HEM1408 3.0 47.7 1.0 C4A A:HEM1408 3.0 46.6 1.0 C1C A:HEM1408 3.0 46.7 1.0 C1A A:HEM1408 3.0 47.0 1.0 C1D A:HEM1408 3.0 48.5 1.0 C4D A:HEM1408 3.1 49.2 1.0 C3 A:ECN1409 3.3 46.1 1.0 CHD A:HEM1408 3.4 49.2 1.0 CHB A:HEM1408 3.4 46.9 1.0 CHC A:HEM1408 3.4 45.3 1.0 CB A:CYS354 3.4 54.1 1.0 CHA A:HEM1408 3.4 48.1 1.0 C6 A:ECN1409 3.9 47.0 1.0 C2B A:HEM1408 4.2 46.0 1.0 C3B A:HEM1408 4.2 45.5 1.0 C3A A:HEM1408 4.3 46.9 1.0 C3C A:HEM1408 4.3 47.8 1.0 C2A A:HEM1408 4.3 47.8 1.0 C2C A:HEM1408 4.3 47.8 1.0 CA A:CYS354 4.3 52.8 1.0 C2D A:HEM1408 4.3 47.9 1.0 C3D A:HEM1408 4.3 48.8 1.0 N1 A:ECN1409 4.5 46.7 1.0 C7 A:ECN1409 4.8 49.0 1.0 N A:GLY356 4.8 52.0 1.0 N A:LEU355 4.9 51.1 1.0 C A:CYS354 4.9 52.1 1.0

Iron binding site 2 out of 2 in the Crystal Structure of Econazole-Bound CYP130 From Mycobacterium Tuberculosis


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of Econazole-Bound CYP130 From Mycobacterium Tuberculosis within 5.0Å range: probe atom residue distance (Å) B Occ B:Fe1405 b:57.5 occ:1.00 FE B:HEM1405 0.0 57.5 1.0 ND B:HEM1405 1.9 61.6 1.0 NC B:HEM1405 2.0 62.1 1.0 NA B:HEM1405 2.0 61.1 1.0 NB B:HEM1405 2.0 60.5 1.0 SG B:CYS354 2.7 55.8 1.0 N19 B:ECN1406 2.8 58.8 1.0 C1D B:HEM1405 3.0 61.8 1.0 C4D B:HEM1405 3.0 62.2 1.0 C4A B:HEM1405 3.0 61.5 1.0 C4C B:HEM1405 3.0 62.0 1.0 C1B B:HEM1405 3.0 60.5 1.0 C1A B:HEM1405 3.0 61.4 1.0 C1C B:HEM1405 3.0 62.2 1.0 C4B B:HEM1405 3.1 60.4 1.0 C3 B:ECN1406 3.3 60.2 1.0 CHD B:HEM1405 3.4 62.3 1.0 CHB B:HEM1405 3.4 61.5 1.0 CHA B:HEM1405 3.4 62.9 1.0 CHC B:HEM1405 3.4 61.8 1.0 CB B:CYS354 3.6 56.1 1.0 C6 B:ECN1406 3.9 61.6 1.0 C2D B:HEM1405 4.2 61.9 1.0 C3D B:HEM1405 4.2 60.8 1.0 C3A B:HEM1405 4.3 61.9 1.0 C3C B:HEM1405 4.3 61.1 1.0 C2B B:HEM1405 4.3 60.4 1.0 C2A B:HEM1405 4.3 61.6 1.0 C2C B:HEM1405 4.3 61.1 1.0 C3B B:HEM1405 4.3 60.5 1.0 CA B:CYS354 4.4 56.4 1.0 N1 B:ECN1406 4.5 60.8 1.0 C7 B:ECN1406 4.8 62.5 1.0 N B:GLY356 4.9 54.8 1.0 C10 B:ECN1406 5.0 53.1 1.0

H.Ouellet, L.M.Podust, P.R.Ortiz De Montellano. 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