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Iron in PDB 8a9p: Crystal Structure of CYP142 From Mycobacterium Tuberculosis in Complex with A Fragment

Enzymatic activity of Crystal Structure of CYP142 From Mycobacterium Tuberculosis in Complex with A Fragment

All present enzymatic activity of Crystal Structure of CYP142 From Mycobacterium Tuberculosis in Complex with A Fragment:
1.14.15.28;

Protein crystallography data

The structure of Crystal Structure of CYP142 From Mycobacterium Tuberculosis in Complex with A Fragment, PDB code: 8a9p was solved by M.Snee, M.Katariya, C.Levy, D.Leys, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 42.56 / 1.63
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 55.395, 66.503, 129.516, 90, 90, 90
R / Rfree (%) 18.1 / 19.9

Other elements in 8a9p:

The structure of Crystal Structure of CYP142 From Mycobacterium Tuberculosis in Complex with A Fragment also contains other interesting chemical elements:

Bromine (Br) 1 atom
Chlorine (Cl) 4 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of CYP142 From Mycobacterium Tuberculosis in Complex with A Fragment (pdb code 8a9p). 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 CYP142 From Mycobacterium Tuberculosis in Complex with A Fragment, PDB code: 8a9p:

Iron binding site 1 out of 1 in 8a9p

Go back to Iron Binding Sites List in 8a9p
Iron binding site 1 out of 1 in the Crystal Structure of CYP142 From Mycobacterium Tuberculosis in Complex with A Fragment


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 CYP142 From Mycobacterium Tuberculosis in Complex with A Fragment within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:28.3
occ:1.00
 FE A:HEM401 0.0 28.3 1.0
ND A:HEM401 2.0 30.4 1.0
NB A:HEM401 2.0 26.8 1.0
NC A:HEM401 2.0 26.9 1.0
NA A:HEM401 2.0 27.3 1.0
N3 A:ENK402 2.1 30.6 1.0
SG A:CYS340 2.3 28.8 1.0
H10 A:ENK402 2.3 36.7 1.0
H9 A:ENK402 2.6 36.7 1.0
C1D A:HEM401 3.0 29.4 1.0
C1B A:HEM401 3.1 27.9 1.0
C4C A:HEM401 3.1 28.9 1.0
C4A A:HEM401 3.1 28.2 1.0
C1C A:HEM401 3.1 29.2 1.0
C4B A:HEM401 3.1 28.2 1.0
C4D A:HEM401 3.1 27.7 1.0
C1A A:HEM401 3.1 28.5 1.0
C1 A:ENK402 3.2 33.4 1.0
HB2 A:CYS340 3.3 32.0 1.0
H1 A:ENK402 3.3 40.1 1.0
CB A:CYS340 3.4 26.7 1.0
CHD A:HEM401 3.4 27.7 1.0
CHB A:HEM401 3.4 26.2 1.0
CHC A:HEM401 3.4 26.6 1.0
CHA A:HEM401 3.4 27.9 1.0
H2 A:ENK402 3.5 40.1 1.0
HA A:CYS340 3.7 34.8 1.0
H A:GLY342 4.0 35.6 1.0
CA A:CYS340 4.1 29.1 1.0
HB3 A:CYS340 4.2 32.0 1.0
O A:GLY230 4.2 32.8 1.0
C2C A:HEM401 4.3 29.8 1.0
HD1 A:PHE333 4.3 31.5 1.0
C3C A:HEM401 4.3 31.4 1.0
C2D A:HEM401 4.3 29.0 1.0
C3B A:HEM401 4.3 28.0 1.0
C3D A:HEM401 4.3 28.2 1.0
C2B A:HEM401 4.3 28.1 1.0
C3A A:HEM401 4.3 27.3 1.0
C2A A:HEM401 4.3 26.6 1.0
HHD A:HEM401 4.4 33.2 1.0
HHB A:HEM401 4.4 31.4 1.0
HHC A:HEM401 4.4 31.9 1.0
HHA A:HEM401 4.4 33.4 1.0
C2 A:ENK402 4.5 34.9 1.0
H A:LEU341 4.5 35.6 1.0
HA3 A:GLY230 4.7 39.8 1.0
C A:CYS340 4.8 29.3 1.0
N A:GLY342 4.8 29.7 1.0
N A:LEU341 4.8 29.7 1.0
HG1 A:THR234 4.8 35.0 1.0
HA3 A:GLY342 4.9 37.4 1.0
C A:GLY230 4.9 32.0 1.0
HG21 A:THR234 5.0 37.7 1.0

Reference:

M.Snee, M.Katariya. Crystal Structure of CYP142 From Mycobacterium Tuberculosis in Complex with A Fragment To Be Published.
Page generated: Thu Jul 27 15:57:00 2023

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