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

Protein crystallography data

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

Other elements in 2uvn:

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

Iron Binding Sites:

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 2uvn

Go back to Iron Binding Sites List in 2uvn
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 2uvn

Go back to Iron Binding Sites List in 2uvn
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

Reference:

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
Page generated: Sun Aug 4 02:20:01 2024

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