Atomistry » Iron » PDB 2bmo-2c1v » 2bz9
Atomistry »
  Iron »
    PDB 2bmo-2c1v »
      2bz9 »

Iron in PDB 2bz9: Ligand-Free Structure of Sterol 14ALPHA-Demethylase From Mycobacterium Tuberculosis in P2(1) Space Group

Enzymatic activity of Ligand-Free Structure of Sterol 14ALPHA-Demethylase From Mycobacterium Tuberculosis in P2(1) Space Group

All present enzymatic activity of Ligand-Free Structure of Sterol 14ALPHA-Demethylase From Mycobacterium Tuberculosis in P2(1) Space Group:
1.14.13.70;

Protein crystallography data

The structure of Ligand-Free Structure of Sterol 14ALPHA-Demethylase From Mycobacterium Tuberculosis in P2(1) Space Group, PDB code: 2bz9 was solved by L.V.Yermalitskaya, M.R.Waterman, L.M.Podust, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 36.97 / 2.21
Space group P 1 21 1
Cell size a, b, c (Å), α, β, γ (°) 38.910, 110.340, 99.627, 90.00, 90.67, 90.00
R / Rfree (%) 21.5 / 27.5

Iron Binding Sites:

The binding sites of Iron atom in the Ligand-Free Structure of Sterol 14ALPHA-Demethylase From Mycobacterium Tuberculosis in P2(1) Space Group (pdb code 2bz9). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Ligand-Free Structure of Sterol 14ALPHA-Demethylase From Mycobacterium Tuberculosis in P2(1) Space Group, PDB code: 2bz9:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 2bz9

Go back to Iron Binding Sites List in 2bz9
Iron binding site 1 out of 2 in the Ligand-Free Structure of Sterol 14ALPHA-Demethylase From Mycobacterium Tuberculosis in P2(1) Space Group


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Ligand-Free Structure of Sterol 14ALPHA-Demethylase From Mycobacterium Tuberculosis in P2(1) Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1449

b:16.4
occ:1.00
FE A:HEM1449 0.0 16.4 1.0
ND A:HEM1449 2.0 20.1 1.0
NB A:HEM1449 2.0 15.9 1.0
NC A:HEM1449 2.0 17.0 1.0
NA A:HEM1449 2.0 13.7 1.0
SG A:CYS394 2.5 13.4 1.0
O A:HOH2054 2.6 19.7 1.0
C4D A:HEM1449 3.0 20.8 1.0
C1B A:HEM1449 3.0 12.7 1.0
C1D A:HEM1449 3.1 19.8 1.0
C1C A:HEM1449 3.1 17.0 1.0
C1A A:HEM1449 3.1 15.8 1.0
C4A A:HEM1449 3.1 13.5 1.0
C4B A:HEM1449 3.1 15.7 1.0
C4C A:HEM1449 3.1 17.9 1.0
CHA A:HEM1449 3.4 16.9 1.0
CHB A:HEM1449 3.4 11.3 1.0
CB A:CYS394 3.4 16.6 1.0
CHD A:HEM1449 3.4 18.6 1.0
CHC A:HEM1449 3.4 17.6 1.0
O A:ALA256 4.2 17.9 1.0
CA A:CYS394 4.2 16.9 1.0
C3D A:HEM1449 4.3 21.5 1.0
C2B A:HEM1449 4.3 14.1 1.0
C2D A:HEM1449 4.3 21.0 1.0
C3B A:HEM1449 4.3 17.3 1.0
C3A A:HEM1449 4.3 12.7 1.0
C2A A:HEM1449 4.3 15.5 1.0
C2C A:HEM1449 4.3 14.5 1.0
C3C A:HEM1449 4.3 16.1 1.0
CB A:ALA256 4.8 18.1 1.0
N A:GLY396 4.9 16.2 1.0
C A:ALA256 4.9 17.6 1.0
C A:CYS394 4.9 14.0 1.0
O A:HOH2018 4.9 19.2 1.0

Iron binding site 2 out of 2 in 2bz9

Go back to Iron Binding Sites List in 2bz9
Iron binding site 2 out of 2 in the Ligand-Free Structure of Sterol 14ALPHA-Demethylase From Mycobacterium Tuberculosis in P2(1) Space Group


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 2 of Ligand-Free Structure of Sterol 14ALPHA-Demethylase From Mycobacterium Tuberculosis in P2(1) Space Group within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1449

b:17.7
occ:1.00
FE B:HEM1449 0.0 17.7 1.0
ND B:HEM1449 2.0 22.0 1.0
NB B:HEM1449 2.0 20.1 1.0
NC B:HEM1449 2.0 19.8 1.0
NA B:HEM1449 2.0 18.5 1.0
O B:HOH2068 2.3 18.7 1.0
SG B:CYS394 2.5 14.7 1.0
C4D B:HEM1449 3.0 22.9 1.0
C1B B:HEM1449 3.0 17.8 1.0
C1D B:HEM1449 3.1 22.6 1.0
C1A B:HEM1449 3.1 20.1 1.0
C1C B:HEM1449 3.1 21.2 1.0
C4A B:HEM1449 3.1 17.8 1.0
C4B B:HEM1449 3.1 18.8 1.0
C4C B:HEM1449 3.1 20.9 1.0
CB B:CYS394 3.3 18.3 1.0
CHA B:HEM1449 3.4 20.5 1.0
CHB B:HEM1449 3.4 15.9 1.0
CHD B:HEM1449 3.4 21.0 1.0
CHC B:HEM1449 3.4 18.9 1.0
O B:ALA256 4.0 20.1 1.0
CA B:CYS394 4.2 18.6 1.0
C2D B:HEM1449 4.3 23.9 1.0
C3D B:HEM1449 4.3 23.6 1.0
C2B B:HEM1449 4.3 17.4 1.0
C2A B:HEM1449 4.3 20.5 1.0
C3A B:HEM1449 4.3 19.0 1.0
C3B B:HEM1449 4.3 17.4 1.0
C2C B:HEM1449 4.3 19.2 1.0
C3C B:HEM1449 4.3 20.6 1.0
CB B:ALA256 4.7 15.6 1.0
N B:GLY396 4.8 15.7 1.0
C B:ALA256 4.8 16.8 1.0
C B:CYS394 4.9 17.9 1.0

Reference:

L.M.Podust, J.P.Von Kries, A.N.Eddine, Y.Kim, L.V.Yermalitskaya, R.Kuehne, H.Ouellet, T.Warrier, M.Altekoster, J.-S.Lee, J.Rademann, H.Oschkinat, S.H.E.Kaufmann, M.R.Waterman. Small Molecule Scaffolds For CYP51 Inhibitors Identified By High Throughput Screening and Defined By X-Ray Crystallography Antimicrob.Agents Chemother. V. 51 3915 2007.
ISSN: ISSN 0066-4804
PubMed: 17846131
DOI: 10.1128/AAC.00311-07
Page generated: Sat Aug 3 19:52:51 2024

Last articles

Cl in 4P9E
Cl in 4P18
Cl in 4P90
Cl in 4P8P
Cl in 4P8B
Cl in 4P7D
Cl in 4P7L
Cl in 4P72
Cl in 4P6W
Cl in 4P65
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy