Atomistry » Iron » PDB 4ccx-4cun » 4coh
Atomistry »
  Iron »
    PDB 4ccx-4cun »
      4coh »

Iron in PDB 4coh: Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Sulfonamide Derivative of the 4-Aminopyridyl-Based Inhibitor

Enzymatic activity of Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Sulfonamide Derivative of the 4-Aminopyridyl-Based Inhibitor

All present enzymatic activity of Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Sulfonamide Derivative of the 4-Aminopyridyl-Based Inhibitor:
1.14.13.70;

Protein crystallography data

The structure of Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Sulfonamide Derivative of the 4-Aminopyridyl-Based Inhibitor, PDB code: 4coh was solved by D.F.Vieira, J.Y.Choi, W.R.Roush, L.M.Podust, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 137.11 / 2.08
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 79.218, 96.392, 137.113, 90.00, 90.00, 90.00
R / Rfree (%) 17.415 / 24.295

Other elements in 4coh:

The structure of Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Sulfonamide Derivative of the 4-Aminopyridyl-Based Inhibitor also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Sulfonamide Derivative of the 4-Aminopyridyl-Based Inhibitor (pdb code 4coh). This binding sites where shown within 5.0 Angstroms radius around Iron atom.
In total 2 binding sites of Iron where determined in the Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Sulfonamide Derivative of the 4-Aminopyridyl-Based Inhibitor, PDB code: 4coh:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 4coh

Go back to Iron Binding Sites List in 4coh
Iron binding site 1 out of 2 in the Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Sulfonamide Derivative of the 4-Aminopyridyl-Based 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 Trypanosoma Cruzi CYP51 Bound to the Sulfonamide Derivative of the 4-Aminopyridyl-Based Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe1450

b:13.2
occ:1.00
 FE A:HEM1450 0.0 13.2 1.0
NC A:HEM1450 2.0 13.4 1.0
NB A:HEM1450 2.1 14.3 1.0
N1 A:T9H1460 2.1 15.7 1.0
NA A:HEM1450 2.1 14.4 1.0
ND A:HEM1450 2.1 15.5 1.0
SG A:CYS422 2.3 17.0 1.0
C3 A:T9H1460 3.0 17.9 1.0
C4C A:HEM1450 3.0 16.1 1.0
C4B A:HEM1450 3.0 13.5 1.0
C2 A:T9H1460 3.1 16.5 1.0
C1C A:HEM1450 3.1 13.9 1.0
C4A A:HEM1450 3.1 15.9 1.0
C1D A:HEM1450 3.1 18.6 1.0
C4D A:HEM1450 3.1 16.7 1.0
C1A A:HEM1450 3.1 17.1 1.0
C1B A:HEM1450 3.1 15.8 1.0
CHD A:HEM1450 3.4 16.0 1.0
CB A:CYS422 3.4 15.2 1.0
CHC A:HEM1450 3.4 10.9 1.0
CHB A:HEM1450 3.5 14.1 1.0
CHA A:HEM1450 3.5 14.9 1.0
CA A:CYS422 4.0 16.5 1.0
C3C A:HEM1450 4.2 16.9 1.0
C3B A:HEM1450 4.3 15.5 1.0
C2C A:HEM1450 4.3 11.8 1.0
C3A A:HEM1450 4.3 15.6 1.0
C4 A:T9H1460 4.3 15.7 1.0
C2A A:HEM1450 4.3 13.1 1.0
C3D A:HEM1450 4.4 18.1 1.0
C2D A:HEM1450 4.4 19.2 1.0
C2B A:HEM1450 4.4 13.3 1.0
C1 A:T9H1460 4.4 14.9 1.0
C A:CYS422 4.8 15.7 1.0
N A:ILE423 4.9 14.4 1.0
N A:GLY424 4.9 15.5 1.0
C5 A:T9H1460 4.9 16.4 1.0

Iron binding site 2 out of 2 in 4coh

Go back to Iron Binding Sites List in 4coh
Iron binding site 2 out of 2 in the Crystal Structure of Trypanosoma Cruzi CYP51 Bound to the Sulfonamide Derivative of the 4-Aminopyridyl-Based 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 Trypanosoma Cruzi CYP51 Bound to the Sulfonamide Derivative of the 4-Aminopyridyl-Based Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe1450

b:16.8
occ:1.00
 FE B:HEM1450 0.0 16.8 1.0
NC B:HEM1450 2.0 18.6 1.0
ND B:HEM1450 2.1 17.4 1.0
N1 B:T9H1460 2.1 15.8 0.5
NA B:HEM1450 2.1 16.9 1.0
NB B:HEM1450 2.1 16.6 1.0
N1 B:T9H1460 2.1 18.9 0.5
SG B:CYS422 2.3 14.8 1.0
C3 B:T9H1460 2.9 19.2 0.5
C3 B:T9H1460 2.9 16.3 0.5
C4C B:HEM1450 3.0 21.2 1.0
C1D B:HEM1450 3.0 19.0 1.0
C4D B:HEM1450 3.1 19.4 1.0
C1C B:HEM1450 3.1 18.0 1.0
C4B B:HEM1450 3.1 16.4 1.0
C1A B:HEM1450 3.1 15.8 1.0
C2 B:T9H1460 3.1 16.1 0.5
C4A B:HEM1450 3.1 15.1 1.0
C1B B:HEM1450 3.1 17.5 1.0
C2 B:T9H1460 3.2 18.7 0.5
CB B:CYS422 3.4 18.8 1.0
CHD B:HEM1450 3.4 18.3 1.0
CHA B:HEM1450 3.4 18.0 1.0
CHC B:HEM1450 3.5 17.5 1.0
CHB B:HEM1450 3.5 15.3 1.0
CA B:CYS422 4.0 18.5 1.0
C3C B:HEM1450 4.2 19.3 1.0
C4 B:T9H1460 4.2 15.1 0.5
C4 B:T9H1460 4.2 11.4 0.5
C2C B:HEM1450 4.3 17.8 1.0
C2D B:HEM1450 4.3 15.6 1.0
C3B B:HEM1450 4.3 17.1 1.0
C3D B:HEM1450 4.3 21.1 1.0
C2A B:HEM1450 4.3 16.4 1.0
C3A B:HEM1450 4.3 14.3 1.0
C2B B:HEM1450 4.3 16.5 1.0
C1 B:T9H1460 4.4 11.8 0.5
C1 B:T9H1460 4.5 15.4 0.5
N B:GLY424 4.8 17.8 1.0
C B:CYS422 4.8 17.9 1.0
N B:ILE423 4.9 17.3 1.0
C5 B:T9H1460 4.9 14.7 0.5
C5 B:T9H1460 4.9 18.2 0.5

Reference:

D.F.Vieira, J.Y.Choi, W.R.Roush, L.M.Podust. Expanding the Binding Envelope of CYP51 Inhibitors Targeting Trypanosoma Cruzi with 4-Aminopyridyl-Based Sulfonamide Derivatives Chembiochem V. 15 1111 2014.
ISSN: ISSN 1439-4227
PubMed: 24771705
DOI: 10.1002/CBIC.201402027
Page generated: Mon Aug 5 00:37:57 2024

Last articles

Zn in 9J0N
Zn in 9J0O
Zn in 9J0P
Zn in 9FJX
Zn in 9EKB
Zn in 9C0F
Zn in 9CAH
Zn in 9CH0
Zn in 9CH3
Zn in 9CH1
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy