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Iron in PDB 7qq7: Crystal Structure of CYP142 From Mycobacterium Tuberculosis in Complex with An Inhibitor at Partial Occupancy with Peg

Enzymatic activity of Crystal Structure of CYP142 From Mycobacterium Tuberculosis in Complex with An Inhibitor at Partial Occupancy with Peg

All present enzymatic activity of Crystal Structure of CYP142 From Mycobacterium Tuberculosis in Complex with An Inhibitor at Partial Occupancy with Peg:
1.14.15.28;

Protein crystallography data

The structure of Crystal Structure of CYP142 From Mycobacterium Tuberculosis in Complex with An Inhibitor at Partial Occupancy with Peg, PDB code: 7qq7 was solved by M.Snee, C.Levy, M.Kavanagh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 50.80 / 1.60
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 55.308, 65.191, 128.409, 90, 90, 90
R / Rfree (%) 16.4 / 18.3

Other elements in 7qq7:

The structure of Crystal Structure of CYP142 From Mycobacterium Tuberculosis in Complex with An Inhibitor at Partial Occupancy with Peg also contains other interesting chemical elements:

Bromine (Br) 3 atoms
Chlorine (Cl) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of CYP142 From Mycobacterium Tuberculosis in Complex with An Inhibitor at Partial Occupancy with Peg (pdb code 7qq7). 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 An Inhibitor at Partial Occupancy with Peg, PDB code: 7qq7:

Iron binding site 1 out of 1 in 7qq7

Go back to Iron Binding Sites List in 7qq7
Iron binding site 1 out of 1 in the Crystal Structure of CYP142 From Mycobacterium Tuberculosis in Complex with An Inhibitor at Partial Occupancy with Peg


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 An Inhibitor at Partial Occupancy with Peg within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1601

b:15.1
occ:1.00
FE A:HEM1601 0.0 15.1 1.0
ND A:HEM1601 2.0 13.6 1.0
NB A:HEM1601 2.0 14.6 1.0
NC A:HEM1601 2.0 15.4 1.0
NA A:HEM1601 2.0 14.7 1.0
O1 A:PG41603 2.2 17.8 0.5
N2 A:EIQ1609 2.2 19.9 0.5
SG A:CYS340 2.3 15.7 1.0
C4B A:HEM1601 3.0 14.5 1.0
C1C A:HEM1601 3.0 13.6 1.0
C4D A:HEM1601 3.0 15.4 1.0
C1D A:HEM1601 3.0 17.1 1.0
C4A A:HEM1601 3.1 14.9 1.0
C1A A:HEM1601 3.1 13.3 1.0
C4C A:HEM1601 3.1 13.9 1.0
C1B A:HEM1601 3.1 13.7 1.0
H8 A:EIQ1609 3.1 25.6 0.5
C9 A:EIQ1609 3.1 21.3 0.5
C8 A:EIQ1609 3.1 19.6 0.5
H7 A:EIQ1609 3.1 23.5 0.5
C1 A:PG41603 3.2 19.5 0.5
HB2 A:CYS340 3.3 17.7 1.0
CHC A:HEM1601 3.4 14.2 1.0
CB A:CYS340 3.4 14.7 1.0
CHA A:HEM1601 3.4 16.3 1.0
CHD A:HEM1601 3.4 16.5 1.0
CHB A:HEM1601 3.4 14.2 1.0
HA A:CYS340 3.7 18.9 1.0
H A:GLY342 3.9 19.4 1.0
CA A:CYS340 4.1 15.7 1.0
O A:GLY230 4.1 16.1 0.5
HB3 A:CYS340 4.2 17.7 1.0
C3B A:HEM1601 4.3 13.7 1.0
C2D A:HEM1601 4.3 17.1 1.0
C2C A:HEM1601 4.3 14.7 1.0
HD1 A:PHE333 4.3 16.3 1.0
C3D A:HEM1601 4.3 17.1 1.0
C2B A:HEM1601 4.3 12.7 1.0
C3C A:HEM1601 4.3 14.1 1.0
C3A A:HEM1601 4.3 14.7 1.0
C2A A:HEM1601 4.3 13.3 1.0
HHC A:HEM1601 4.4 17.1 1.0
HHA A:HEM1601 4.4 19.6 1.0
HHD A:HEM1601 4.4 19.8 1.0
HHB A:HEM1601 4.4 17.1 1.0
C10 A:EIQ1609 4.4 22.2 0.5
C7 A:EIQ1609 4.4 20.9 0.5
H A:LEU341 4.5 18.2 1.0
C2 A:PG41603 4.5 20.6 0.5
HA3 A:GLY230 4.5 18.6 0.5
HA3 A:GLY230 4.6 22.0 0.5
HG21 A:THR234 4.7 16.3 0.5
HG1 A:THR234 4.7 20.5 0.5
N A:GLY342 4.7 16.1 1.0
HA3 A:GLY342 4.7 18.6 1.0
C A:CYS340 4.7 16.8 1.0
C A:GLY230 4.7 21.8 0.5
N A:LEU341 4.8 15.1 1.0
HG21 A:THR234 5.0 16.4 0.5

Reference:

M.Kavanagh, M.Snee. Crystal Structure of CYP142 From Mycobacterium Tuberculosis in Complex with An Inhibitor at Partial Occupancy with Peg To Be Published.
Page generated: Thu Aug 8 19:52:47 2024

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