Atomistry » Iron » PDB 4g39-4gl5 » 4g47
Atomistry »
  Iron »
    PDB 4g39-4gl5 »
      4g47 »

Iron in PDB 4g47: Structure of Cytochrome P450 CYP121 in Complex with 4-(1H-1,2,4- Triazol-1-Yl)Phenol

Protein crystallography data

The structure of Structure of Cytochrome P450 CYP121 in Complex with 4-(1H-1,2,4- Triazol-1-Yl)Phenol, PDB code: 4g47 was solved by S.A.Hudson, K.J.Mclean, S.Surade, Y.-Q.Yang, D.Leys, A.Ciulli, A.W.Munro, C.Abell, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 33.27 / 1.34
Space group P 65 2 2
Cell size a, b, c (Å), α, β, γ (°) 77.450, 77.450, 263.600, 90.00, 90.00, 120.00
R / Rfree (%) 15.5 / 17.7

Iron Binding Sites:

The binding sites of Iron atom in the Structure of Cytochrome P450 CYP121 in Complex with 4-(1H-1,2,4- Triazol-1-Yl)Phenol (pdb code 4g47). 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 Structure of Cytochrome P450 CYP121 in Complex with 4-(1H-1,2,4- Triazol-1-Yl)Phenol, PDB code: 4g47:

Iron binding site 1 out of 1 in 4g47

Go back to Iron Binding Sites List in 4g47
Iron binding site 1 out of 1 in the Structure of Cytochrome P450 CYP121 in Complex with 4-(1H-1,2,4- Triazol-1-Yl)Phenol


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Structure of Cytochrome P450 CYP121 in Complex with 4-(1H-1,2,4- Triazol-1-Yl)Phenol within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe401

b:8.7
occ:1.00
FE A:HEM401 0.0 8.7 1.0
NC A:HEM401 2.0 7.9 1.0
NA A:HEM401 2.0 7.1 1.0
ND A:HEM401 2.0 7.9 1.0
NB A:HEM401 2.1 6.2 1.0
SG A:CYS345 2.4 9.8 1.0
O A:HOH1093 2.4 21.3 1.0
C4B A:HEM401 3.0 7.1 1.0
C1C A:HEM401 3.0 8.1 1.0
C4C A:HEM401 3.0 8.6 1.0
C1D A:HEM401 3.0 8.2 1.0
C4D A:HEM401 3.1 8.3 1.0
C1B A:HEM401 3.1 6.8 1.0
C1A A:HEM401 3.1 7.6 1.0
C4A A:HEM401 3.1 7.7 1.0
CHD A:HEM401 3.4 8.1 1.0
CB A:CYS345 3.4 9.8 1.0
CHC A:HEM401 3.4 7.3 1.0
CHA A:HEM401 3.4 8.6 1.0
CHB A:HEM401 3.5 7.7 1.0
O4 A:SO4405 4.0 41.0 1.0
CA A:CYS345 4.2 8.3 1.0
C3C A:HEM401 4.2 9.2 1.0
C3B A:HEM401 4.2 7.7 1.0
C2C A:HEM401 4.3 9.5 1.0
C3D A:HEM401 4.3 9.1 1.0
C2A A:HEM401 4.3 8.2 1.0
C2D A:HEM401 4.3 9.2 1.0
C2B A:HEM401 4.3 7.8 1.0
C3A A:HEM401 4.3 8.1 1.0
OG A:SER237 4.6 8.6 1.0
CD A:PRO346 4.8 9.2 1.0
N A:GLY347 4.9 9.1 1.0
CB A:SER237 4.9 7.9 1.0
C A:CYS345 4.9 7.7 1.0

Reference:

S.A.Hudson, K.J.Mclean, S.Surade, Y.-Q.Yang, D.Leys, A.Ciulli, A.W.Munro, C.Abell. Application of Fragment Screening and Merging to the Discovery of Inhibitors of the Mycobacterium Tuberculosis Cytochrome P450 CYP121 Angew.Chem.Int.Ed.Engl. V. 51 9311 2012.
ISSN: ISSN 1433-7851
PubMed: 22890978
DOI: 10.1002/ANIE.201202544
Page generated: Mon Aug 5 02:36:12 2024

Last articles

Zn in 9MJ5
Zn in 9HNW
Zn in 9G0L
Zn in 9FNE
Zn in 9DZN
Zn in 9E0I
Zn in 9D32
Zn in 9DAK
Zn in 8ZXC
Zn in 8ZUF
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy