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Iron in PDB 7qke: Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with Inhibitor (Surface Entropy Reduction Mutant)

Enzymatic activity of Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with Inhibitor (Surface Entropy Reduction Mutant)

All present enzymatic activity of Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with Inhibitor (Surface Entropy Reduction Mutant):
1.14.15.29;

Protein crystallography data

The structure of Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with Inhibitor (Surface Entropy Reduction Mutant), PDB code: 7qke was solved by M.Snee, R.Tunnicliffe, D.Leys, C.Levy, M.Katariya, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 37.70 / 2.30
Space group C 2 2 21
Cell size a, b, c (Å), α, β, γ (°) 54.01, 119.523, 145.753, 90, 90, 90
R / Rfree (%) 19.1 / 22.6

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with Inhibitor (Surface Entropy Reduction Mutant) (pdb code 7qke). 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 CYP125 From Mycobacterium Tuberculosis in Complex with Inhibitor (Surface Entropy Reduction Mutant), PDB code: 7qke:

Iron binding site 1 out of 1 in 7qke

Go back to Iron Binding Sites List in 7qke
Iron binding site 1 out of 1 in the Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with Inhibitor (Surface Entropy Reduction Mutant)


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 CYP125 From Mycobacterium Tuberculosis in Complex with Inhibitor (Surface Entropy Reduction Mutant) within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe502

b:42.7
occ:1.00
 FE A:HEM502 0.0 42.7 1.0
NA A:HEM502 2.0 38.3 1.0
NB A:HEM502 2.0 45.5 1.0
ND A:HEM502 2.0 44.9 1.0
NC A:HEM502 2.0 43.4 1.0
SG A:CYS377 2.3 45.8 0.9
O A:HOH642 2.9 49.3 1.0
C1A A:HEM502 3.0 42.3 1.0
C4A A:HEM502 3.1 41.0 1.0
C4B A:HEM502 3.1 44.9 1.0
C4D A:HEM502 3.1 38.4 1.0
C1B A:HEM502 3.1 42.7 1.0
C1C A:HEM502 3.1 45.6 1.0
C1D A:HEM502 3.1 42.6 1.0
C4C A:HEM502 3.1 45.3 1.0
HB2 A:CYS377 3.2 54.5 1.0
CB A:CYS377 3.4 45.1 1.0
CHA A:HEM502 3.4 43.8 1.0
CHC A:HEM502 3.4 45.7 1.0
CHB A:HEM502 3.4 41.3 1.0
CHD A:HEM502 3.4 47.0 1.0
HB1 A:ALA268 3.7 63.9 1.0
O A:ALA268 3.7 52.6 1.0
HA A:CYS377 3.8 55.0 1.0
H A:GLY379 4.1 50.6 1.0
HB3 A:CYS377 4.1 54.5 1.0
CA A:CYS377 4.2 45.5 1.0
C2A A:HEM502 4.3 45.7 1.0
C3A A:HEM502 4.3 42.7 1.0
C2B A:HEM502 4.3 43.4 1.0
C3D A:HEM502 4.3 41.0 1.0
C3B A:HEM502 4.3 42.1 1.0
C2D A:HEM502 4.3 42.1 1.0
C2C A:HEM502 4.3 45.9 1.0
C3C A:HEM502 4.3 47.4 1.0
HD1 A:PHE369 4.4 52.1 1.0
HHA A:HEM502 4.4 53.0 1.0
HHC A:HEM502 4.4 55.2 1.0
HHB A:HEM502 4.4 50.0 1.0
HHD A:HEM502 4.4 56.7 1.0
HG1 A:THR272 4.5 59.7 1.0
C A:ALA268 4.6 50.0 1.0
HG21 A:THR272 4.6 61.3 1.0
CB A:ALA268 4.6 52.9 1.0
H A:ILE378 4.8 59.0 1.0
HA3 A:GLY379 4.9 53.2 1.0
HA A:ALA268 4.9 66.9 1.0
C A:CYS377 4.9 48.0 1.0
N A:GLY379 4.9 41.8 1.0
CA A:ALA268 5.0 55.4 1.0

Reference:

M.Snee, M.Katariya. Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with Inhibitor (Surface Entropy Reduction Mutant) To Be Published.
Page generated: Thu Aug 8 19:52:48 2024

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