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Iron in PDB 7p5t: Structure of CYP142 From Mycobacterium Tuberculosis in Complex with Inhibitor MEK216

Enzymatic activity of Structure of CYP142 From Mycobacterium Tuberculosis in Complex with Inhibitor MEK216

All present enzymatic activity of Structure of CYP142 From Mycobacterium Tuberculosis in Complex with Inhibitor MEK216:
1.14.15.28;

Protein crystallography data

The structure of Structure of CYP142 From Mycobacterium Tuberculosis in Complex with Inhibitor MEK216, PDB code: 7p5t was solved by M.Snee, M.Kavanagh, R.Tunnicliffe, K.Mclean, C.Levy, A.Munro, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 64.53 / 1.30
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 55.728, 65.717, 129.069, 90, 90, 90
R / Rfree (%) 13.7 / 16.2

Other elements in 7p5t:

The structure of Structure of CYP142 From Mycobacterium Tuberculosis in Complex with Inhibitor MEK216 also contains other interesting chemical elements:

Potassium (K) 2 atoms
Bromine (Br) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Structure of CYP142 From Mycobacterium Tuberculosis in Complex with Inhibitor MEK216 (pdb code 7p5t). 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 Structure of CYP142 From Mycobacterium Tuberculosis in Complex with Inhibitor MEK216, PDB code: 7p5t:

Iron binding site 1 out of 1 in 7p5t

Go back to Iron Binding Sites List in 7p5t
Iron binding site 1 out of 1 in the Structure of CYP142 From Mycobacterium Tuberculosis in Complex with Inhibitor MEK216


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of CYP142 From Mycobacterium Tuberculosis in Complex with Inhibitor MEK216 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:13.2
occ:1.00
 FE A:HEM401 0.0 13.2 1.0
NB A:HEM401 2.0 13.4 1.0
NA A:HEM401 2.0 13.1 1.0
ND A:HEM401 2.0 14.0 1.0
NC A:HEM401 2.0 13.2 1.0
N17 A:5YG402 2.1 13.3 1.0
SG A:CYS340 2.3 14.0 1.0
C16 A:5YG402 3.0 14.3 1.0
C18 A:5YG402 3.0 14.7 1.0
C1D A:HEM401 3.0 13.9 1.0
C1B A:HEM401 3.0 12.8 1.0
C4A A:HEM401 3.0 11.9 1.0
C4B A:HEM401 3.0 12.4 1.0
C4C A:HEM401 3.0 13.3 1.0
C1C A:HEM401 3.1 12.7 1.0
C4D A:HEM401 3.1 14.5 1.0
C1A A:HEM401 3.1 13.3 1.0
CB A:CYS340 3.4 13.3 1.0
CHD A:HEM401 3.4 14.2 1.0
CHC A:HEM401 3.4 12.8 1.0
CHB A:HEM401 3.4 12.4 1.0
CHA A:HEM401 3.4 13.6 1.0
CA A:CYS340 4.1 13.1 1.0
C2D A:HEM401 4.2 14.8 1.0
C3B A:HEM401 4.2 12.5 1.0
C2C A:HEM401 4.3 14.0 1.0
C3D A:HEM401 4.3 14.8 1.0
C3C A:HEM401 4.3 14.5 1.0
C2B A:HEM401 4.3 12.4 1.0
C3A A:HEM401 4.3 13.0 1.0
C2A A:HEM401 4.3 13.4 1.0
C15 A:5YG402 4.3 14.9 1.0
C19 A:5YG402 4.3 16.3 1.0
N A:GLY342 4.7 15.4 1.0
C A:CYS340 4.7 14.0 1.0
N A:LEU341 4.8 14.5 1.0
C14 A:5YG402 4.8 16.4 1.0

Reference:

M.Kavanagh, A.Coyne. Structure of CYP142 From Mycobacterium Tuberculosis in Complex with Inhibitor MEK216 To Be Published.
Page generated: Thu Aug 8 14:58:34 2024

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