Atomistry » Iron » PDB 6pq6-6qgr » 6pz1
Atomistry »
  Iron »
    PDB 6pq6-6qgr »
      6pz1 »

Iron in PDB 6pz1: Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 in Complex with Pf-06840003 in Active Site and Si Site

Enzymatic activity of Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 in Complex with Pf-06840003 in Active Site and Si Site

All present enzymatic activity of Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 in Complex with Pf-06840003 in Active Site and Si Site:
1.13.11.52;

Protein crystallography data

The structure of Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 in Complex with Pf-06840003 in Active Site and Si Site, PDB code: 6pz1 was solved by K.N.Pham, A.Lewis-Ballester, S.R.Yeh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 40.00 / 2.65
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 87.479, 97.858, 131.966, 90.00, 90.00, 90.00
R / Rfree (%) 22 / 27

Other elements in 6pz1:

The structure of Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 in Complex with Pf-06840003 in Active Site and Si Site also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Iron Binding Sites:

The binding sites of Iron atom in the Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 in Complex with Pf-06840003 in Active Site and Si Site (pdb code 6pz1). 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 Human Indoleamine 2,3-Dioxygenase 1 in Complex with Pf-06840003 in Active Site and Si Site, PDB code: 6pz1:
Jump to Iron binding site number: 1; 2;

Iron binding site 1 out of 2 in 6pz1

Go back to Iron Binding Sites List in 6pz1
Iron binding site 1 out of 2 in the Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 in Complex with Pf-06840003 in Active Site and Si Site


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 Human Indoleamine 2,3-Dioxygenase 1 in Complex with Pf-06840003 in Active Site and Si Site within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:74.3
occ:1.00
 FE A:HEM501 0.0 74.3 1.0
ND A:HEM501 1.9 75.1 1.0
NA A:HEM501 2.0 74.8 1.0
NC A:HEM501 2.1 74.7 1.0
NB A:HEM501 2.1 75.4 1.0
NE2 A:HIS346 2.1 67.9 1.0
C4D A:HEM501 2.9 74.5 1.0
C1D A:HEM501 2.9 74.9 1.0
C1A A:HEM501 3.0 74.8 1.0
C4C A:HEM501 3.0 75.0 1.0
C4A A:HEM501 3.1 74.6 1.0
CE1 A:HIS346 3.1 68.2 1.0
C1B A:HEM501 3.1 75.6 1.0
C4B A:HEM501 3.1 75.7 1.0
CD2 A:HIS346 3.1 68.1 1.0
C1C A:HEM501 3.1 74.9 1.0
CHA A:HEM501 3.3 74.7 1.0
CHD A:HEM501 3.4 75.0 1.0
CHB A:HEM501 3.5 75.3 1.0
CHC A:HEM501 3.5 75.6 1.0
C1 A:AOJ502 3.7 0.1 1.0
C5 A:AOJ502 4.0 0.8 1.0
C3D A:HEM501 4.1 74.1 1.0
C2D A:HEM501 4.2 74.2 1.0
C2A A:HEM501 4.2 74.8 1.0
ND1 A:HIS346 4.2 67.9 1.0
C4 A:AOJ502 4.2 0.1 1.0
C3A A:HEM501 4.2 74.1 1.0
O2 A:AOJ502 4.2 0.7 1.0
CG A:HIS346 4.2 68.6 1.0
CB A:ALA264 4.2 85.0 1.0
C3C A:HEM501 4.3 75.7 1.0
C12 A:AOJ502 4.3 0.7 1.0
C2C A:HEM501 4.3 75.0 1.0
C2B A:HEM501 4.3 75.6 1.0
C3B A:HEM501 4.4 75.6 1.0
C2 A:AOJ502 4.8 0.6 1.0

Iron binding site 2 out of 2 in 6pz1

Go back to Iron Binding Sites List in 6pz1
Iron binding site 2 out of 2 in the Crystal Structure of Human Indoleamine 2,3-Dioxygenase 1 in Complex with Pf-06840003 in Active Site and Si Site


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 Human Indoleamine 2,3-Dioxygenase 1 in Complex with Pf-06840003 in Active Site and Si Site within 5.0Å range:
probe atom residue distance (Å) B Occ
B:Fe501

b:77.1
occ:1.00
 FE B:HEM501 0.0 77.1 1.0
ND B:HEM501 1.9 77.4 1.0
NA B:HEM501 2.0 77.5 1.0
NC B:HEM501 2.1 76.0 1.0
NB B:HEM501 2.1 76.6 1.0
NE2 B:HIS346 2.2 86.6 1.0
C1D B:HEM501 2.9 77.1 1.0
C4D B:HEM501 2.9 77.6 1.0
C1A B:HEM501 3.0 78.1 1.0
C4C B:HEM501 3.0 75.9 1.0
C4A B:HEM501 3.0 77.7 1.0
C1B B:HEM501 3.1 76.2 1.0
C4B B:HEM501 3.1 76.1 1.0
C1C B:HEM501 3.2 75.8 1.0
CE1 B:HIS346 3.2 86.9 1.0
CD2 B:HIS346 3.2 87.7 1.0
CHA B:HEM501 3.3 77.8 1.0
CHD B:HEM501 3.3 76.7 1.0
CHB B:HEM501 3.5 76.6 1.0
CHC B:HEM501 3.5 75.8 1.0
C1 B:AOJ502 3.7 72.8 1.0
C4 B:AOJ502 3.9 73.9 1.0
O2 B:AOJ502 4.0 74.7 1.0
C5 B:AOJ502 4.1 71.4 1.0
C2D B:HEM501 4.2 77.2 1.0
C3D B:HEM501 4.2 77.6 1.0
C2A B:HEM501 4.2 78.3 1.0
C3A B:HEM501 4.2 78.4 1.0
C3C B:HEM501 4.3 75.6 1.0
ND1 B:HIS346 4.3 87.5 1.0
C2C B:HEM501 4.3 76.0 1.0
C2B B:HEM501 4.3 76.2 1.0
CG B:HIS346 4.3 88.5 1.0
C12 B:AOJ502 4.4 71.7 1.0
C3B B:HEM501 4.4 76.2 1.0
CB B:ALA264 4.5 76.4 1.0
C2 B:AOJ502 4.7 73.1 1.0
N1 B:AOJ502 4.7 74.2 1.0

Reference:

K.N.Pham, A.Lewis-Ballester, S.R.Yeh. Structural Basis of Inhibitor Selectivity in Human Indoleamine 2,3-Dioxygenase 1 and Tryptophan Dioxygenase. J.Am.Chem.Soc. V. 141 18771 2019.
ISSN: ESSN 1520-5126
PubMed: 31682426
DOI: 10.1021/JACS.9B08871
Page generated: Wed Aug 6 12:03:09 2025

Last articles

Fe in 7SF6
Fe in 7SCP
Fe in 7SBH
Fe in 7S8T
Fe in 7SA3
Fe in 7S9Z
Fe in 7S9Y
Fe in 7S7H
Fe in 7S6T
Fe in 7S6S
© Copyright 2008-2020 by atomistry.com
Home   |    Site Map   |    Copyright   |    Contact us   |    Privacy