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Iron in PDB 6upi: Crystal Structure of Mycobacterium Tuberculosis CYP121 Bound with A Hydroxylated Intermediate of Cyf-4-Ome

Enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis CYP121 Bound with A Hydroxylated Intermediate of Cyf-4-Ome

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis CYP121 Bound with A Hydroxylated Intermediate of Cyf-4-Ome:
1.14.19.70;

Protein crystallography data

The structure of Crystal Structure of Mycobacterium Tuberculosis CYP121 Bound with A Hydroxylated Intermediate of Cyf-4-Ome, PDB code: 6upi was solved by R.C.D.Nguyen, Y.Yang, A.Liu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 46.84 / 1.81
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 77.370, 77.370, 261.973, 90.00, 90.00, 120.00
R / Rfree (%) 18.5 / 22.5

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Mycobacterium Tuberculosis CYP121 Bound with A Hydroxylated Intermediate of Cyf-4-Ome (pdb code 6upi). 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 Mycobacterium Tuberculosis CYP121 Bound with A Hydroxylated Intermediate of Cyf-4-Ome, PDB code: 6upi:

Iron binding site 1 out of 1 in 6upi

Go back to Iron Binding Sites List in 6upi
Iron binding site 1 out of 1 in the Crystal Structure of Mycobacterium Tuberculosis CYP121 Bound with A Hydroxylated Intermediate of Cyf-4-Ome


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 Mycobacterium Tuberculosis CYP121 Bound with A Hydroxylated Intermediate of Cyf-4-Ome within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:20.8
occ:1.00
 FE A:HEM401 0.0 20.8 1.0
NB A:HEM401 2.1 16.6 1.0
ND A:HEM401 2.1 17.9 1.0
NA A:HEM401 2.1 18.8 1.0
NC A:HEM401 2.1 18.7 1.0
SG A:CYS345 2.6 20.0 1.0
O12 A:QFD402 3.0 22.3 0.4
C4B A:HEM401 3.1 19.0 1.0
C4D A:HEM401 3.1 17.8 1.0
C1C A:HEM401 3.1 19.3 1.0
C1A A:HEM401 3.1 20.1 1.0
C4C A:HEM401 3.1 19.7 1.0
C1B A:HEM401 3.1 18.0 1.0
C4A A:HEM401 3.1 16.6 1.0
C1D A:HEM401 3.1 20.5 1.0
CB A:CYS345 3.3 18.0 1.0
CHA A:HEM401 3.4 17.9 1.0
CHC A:HEM401 3.4 18.3 1.0
CHB A:HEM401 3.5 20.8 1.0
CHD A:HEM401 3.5 16.4 1.0
C11 A:QFD402 3.9 24.6 0.4
C11 A:QFD402 4.1 25.1 0.6
CA A:CYS345 4.1 14.8 1.0
C2C A:HEM401 4.3 18.0 1.0
C3C A:HEM401 4.3 19.6 1.0
C3B A:HEM401 4.3 17.9 1.0
C3D A:HEM401 4.3 19.4 1.0
C2B A:HEM401 4.3 17.9 1.0
C2A A:HEM401 4.3 18.2 1.0
C3A A:HEM401 4.3 17.4 1.0
C2D A:HEM401 4.3 19.1 1.0
OG A:SER237 4.7 20.9 1.0
CD A:PRO346 4.7 21.0 1.0
C A:CYS345 4.9 18.4 1.0
CB A:SER237 4.9 16.9 1.0
N A:GLY347 5.0 22.4 1.0

Reference:

R.C.Nguyen, Y.Yang, I.Davis, A.Liu. Substrate-Assisted Hydroxylation and O-Demethylation in the Peroxidase-Like Cytochrome P450 Enzyme CYP121 Acs Catalysis V. 10 1628 2020.
ISSN: ESSN 2155-5435
DOI: 10.1021/ACSCATAL.9B04596
Page generated: Wed Aug 7 12:24:30 2024

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