Atomistry » Iron » PDB 7yzt-7zih » 7zgl
Atomistry »
  Iron »
    PDB 7yzt-7zih »
      7zgl »

Iron in PDB 7zgl: Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with An Inhibitor

Enzymatic activity of Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with An Inhibitor

All present enzymatic activity of Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with An Inhibitor:
1.14.15.29;

Protein crystallography data

The structure of Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with An Inhibitor, PDB code: 7zgl 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) 144.46 / 2.50
Space group C 1 2 1
Cell size a, b, c (Å), α, β, γ (°) 136.306, 69.329, 144.892, 90, 94.41, 90
R / Rfree (%) 21 / 25.1

Other elements in 7zgl:

The structure of Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with An Inhibitor also contains other interesting chemical elements:

Chlorine (Cl) 2 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with An Inhibitor (pdb code 7zgl). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 3 binding sites of Iron where determined in the Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with An Inhibitor, PDB code: 7zgl:
Jump to Iron binding site number: 1; 2; 3;

Iron binding site 1 out of 3 in 7zgl

Go back to Iron Binding Sites List in 7zgl
Iron binding site 1 out of 3 in the Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with An Inhibitor


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 An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe502

b:22.9
occ:1.00
FE A:HEM502 0.0 22.9 1.0
NA A:HEM502 2.0 22.7 1.0
ND A:HEM502 2.0 23.4 1.0
NB A:HEM502 2.0 22.8 1.0
NC A:HEM502 2.1 23.2 1.0
N2 A:EIQ501 2.3 22.9 1.0
SG A:CYS377 2.6 23.7 1.0
C4A A:HEM502 3.0 22.6 1.0
C1D A:HEM502 3.0 23.2 1.0
C4D A:HEM502 3.0 23.0 1.0
C1A A:HEM502 3.0 24.8 1.0
C1B A:HEM502 3.0 22.7 1.0
C4C A:HEM502 3.1 25.2 1.0
C4B A:HEM502 3.1 23.0 1.0
C1C A:HEM502 3.1 25.6 1.0
C8 A:EIQ501 3.2 23.5 1.0
CB A:CYS377 3.2 24.5 1.0
C9 A:EIQ501 3.2 26.1 1.0
CHB A:HEM502 3.4 22.5 1.0
CHA A:HEM502 3.4 23.0 1.0
CHD A:HEM502 3.4 23.5 1.0
CHC A:HEM502 3.5 23.2 1.0
CA A:CYS377 4.0 26.7 1.0
C3A A:HEM502 4.2 22.6 1.0
C2A A:HEM502 4.2 23.1 1.0
C2D A:HEM502 4.2 27.6 1.0
C3D A:HEM502 4.2 29.1 1.0
C2B A:HEM502 4.3 22.7 1.0
C3B A:HEM502 4.3 22.9 1.0
C3C A:HEM502 4.3 28.1 1.0
C2C A:HEM502 4.3 27.9 1.0
C7 A:EIQ501 4.5 28.1 1.0
C10 A:EIQ501 4.5 24.7 1.0
C A:CYS377 4.7 29.9 1.0
N A:ILE378 4.9 30.7 1.0
CB A:ALA268 4.9 29.5 1.0
N A:GLY379 4.9 29.3 1.0

Iron binding site 2 out of 3 in 7zgl

Go back to Iron Binding Sites List in 7zgl
Iron binding site 2 out of 3 in the Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe502

b:44.9
occ:1.00
FE B:HEM502 0.0 44.9 1.0
NC B:HEM502 2.0 43.3 1.0
NB B:HEM502 2.0 40.8 1.0
ND B:HEM502 2.1 44.9 1.0
NA B:HEM502 2.1 44.2 1.0
N2 B:EIQ501 2.4 50.0 1.0
SG B:CYS377 2.6 46.1 1.0
C4C B:HEM502 3.0 47.5 1.0
C4B B:HEM502 3.0 39.7 1.0
C1C B:HEM502 3.0 44.3 1.0
C1D B:HEM502 3.1 41.9 1.0
C1B B:HEM502 3.1 42.3 1.0
C4A B:HEM502 3.1 42.1 1.0
C1A B:HEM502 3.1 47.4 1.0
C4D B:HEM502 3.1 48.9 1.0
C9 B:EIQ501 3.2 46.3 1.0
CHD B:HEM502 3.4 46.2 1.0
CHC B:HEM502 3.4 40.9 1.0
CHB B:HEM502 3.4 40.0 1.0
CHA B:HEM502 3.5 47.9 1.0
C8 B:EIQ501 3.5 50.9 1.0
CB B:CYS377 3.5 45.1 1.0
C3C B:HEM502 4.2 50.4 1.0
C2C B:HEM502 4.2 48.7 1.0
C3B B:HEM502 4.2 37.6 1.0
C2B B:HEM502 4.3 43.0 1.0
C2D B:HEM502 4.3 49.9 1.0
CA B:CYS377 4.3 53.1 1.0
C2A B:HEM502 4.3 47.7 1.0
C3A B:HEM502 4.3 50.1 1.0
C3D B:HEM502 4.3 51.6 1.0
C10 B:EIQ501 4.5 48.5 1.0
C7 B:EIQ501 4.8 52.1 1.0
CB B:ALA268 4.8 47.5 1.0
O B:ALA268 4.9 48.8 1.0
N B:GLY379 5.0 50.3 1.0
C B:CYS377 5.0 53.1 1.0

Iron binding site 3 out of 3 in 7zgl

Go back to Iron Binding Sites List in 7zgl
Iron binding site 3 out of 3 in the Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with An Inhibitor


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 3 of Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with An Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
C:Fe603

b:47.0
occ:1.00
FE C:HEM603 0.0 47.0 1.0
ND C:HEM603 2.0 48.1 1.0
NA C:HEM603 2.0 54.7 1.0
NB C:HEM603 2.0 48.9 1.0
NC C:HEM603 2.1 53.2 1.0
N2 C:EIQ602 2.3 57.7 1.0
SG C:CYS377 2.6 50.1 1.0
C1D C:HEM603 3.0 53.5 1.0
C4D C:HEM603 3.0 51.9 1.0
C1A C:HEM603 3.1 57.1 1.0
C4A C:HEM603 3.1 53.6 1.0
C1B C:HEM603 3.1 52.8 1.0
C4C C:HEM603 3.1 48.6 1.0
C4B C:HEM603 3.1 46.2 1.0
C1C C:HEM603 3.1 50.5 1.0
C8 C:EIQ602 3.1 58.4 1.0
CB C:CYS377 3.2 54.2 1.0
C9 C:EIQ602 3.3 53.7 1.0
CHD C:HEM603 3.4 49.2 1.0
CHB C:HEM603 3.4 51.9 1.0
CHA C:HEM603 3.4 55.6 1.0
CHC C:HEM603 3.5 46.0 1.0
CA C:CYS377 4.0 56.5 1.0
C2D C:HEM603 4.2 56.0 1.0
C3D C:HEM603 4.2 51.7 1.0
C2A C:HEM603 4.3 57.8 1.0
C3A C:HEM603 4.3 56.9 1.0
C2B C:HEM603 4.3 51.0 1.0
C3C C:HEM603 4.3 50.0 1.0
C3B C:HEM603 4.3 46.9 1.0
C2C C:HEM603 4.3 54.1 1.0
C7 C:EIQ602 4.5 58.0 1.0
C10 C:EIQ602 4.6 53.1 1.0
C C:CYS377 4.8 58.0 1.0
N C:ILE378 4.9 57.5 1.0
CB C:ALA268 5.0 57.5 1.0

Reference:

M.Kavanagh, M.Snee. Crystal Structure of CYP125 From Mycobacterium Tuberculosis in Complex with An Inhibitor To Be Published.
Page generated: Fri Aug 9 14:24:25 2024

Last articles

Zn in 9JPJ
Zn in 9JP7
Zn in 9JPK
Zn in 9JPL
Zn in 9GN6
Zn in 9GN7
Zn in 9GKU
Zn in 9GKW
Zn in 9GKX
Zn in 9GL0
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy