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Iron in PDB 6mq6: Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1

Enzymatic activity of Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1

All present enzymatic activity of Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1:
1.13.11.52;

Protein crystallography data

The structure of Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1, PDB code: 6mq6 was solved by K.N.Pham, S.R.Yeh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 29.00 / 3.05
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 85.327, 96.407, 129.931, 90.00, 90.00, 90.00
R / Rfree (%) 18.4 / 22.9

Other elements in 6mq6:

The structure of Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1 also contains other interesting chemical elements:

Fluorine (F) 1 atom
Chlorine (Cl) 1 atom

Iron Binding Sites:

The binding sites of Iron atom in the Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1 (pdb code 6mq6). 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 Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1, PDB code: 6mq6:

Iron binding site 1 out of 1 in 6mq6

Go back to Iron Binding Sites List in 6mq6
Iron binding site 1 out of 1 in the Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1


Mono view


Stereo pair view

A full contact list of Iron with other atoms in the Fe binding site number 1 of Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1 within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Fe501

b:95.0
occ:1.00
 FE A:HEM501 0.0 95.0 1.0
ND A:HEM501 1.9 0.5 1.0
NA A:HEM501 2.0 99.5 1.0
NE2 A:HIS346 2.0 73.8 1.0
NC A:HEM501 2.1 98.3 1.0
NB A:HEM501 2.1 0.5 1.0
O A:HOH610 2.3 82.5 1.0
C4D A:HEM501 2.9 0.3 1.0
C1D A:HEM501 2.9 98.0 1.0
CE1 A:HIS346 3.0 74.7 1.0
C1A A:HEM501 3.0 0.6 1.0
C4C A:HEM501 3.0 0.4 1.0
C4A A:HEM501 3.1 97.1 1.0
CD2 A:HIS346 3.1 73.0 1.0
C1B A:HEM501 3.1 1.0 1.0
C4B A:HEM501 3.1 0.5 1.0
C1C A:HEM501 3.1 99.7 1.0
CHA A:HEM501 3.3 0.9 1.0
CHD A:HEM501 3.4 0.1 1.0
CHB A:HEM501 3.5 99.3 1.0
CHC A:HEM501 3.5 0.8 1.0
ND1 A:HIS346 4.1 74.5 1.0
C3D A:HEM501 4.1 99.2 1.0
C2D A:HEM501 4.1 97.9 1.0
C2A A:HEM501 4.2 0.3 1.0
CG A:HIS346 4.2 76.5 1.0
C3A A:HEM501 4.2 99.7 1.0
C3C A:HEM501 4.3 0.7 1.0
C2C A:HEM501 4.3 99.7 1.0
C2B A:HEM501 4.3 0.8 1.0
CB A:ALA264 4.3 1.0 1.0
C3B A:HEM501 4.4 0.8 1.0
OG A:SER263 4.6 0.7 1.0
N A:GLY265 4.9 0.5 1.0
C A:ALA264 4.9 0.9 1.0

Reference:

K.N.Pham, S.R.Yeh. Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1. J. Am. Chem. Soc. V. 140 14538 2018.
ISSN: ESSN 1520-5126
PubMed: 30347977
DOI: 10.1021/JACS.8B07994
Page generated: Sun Dec 13 16:44:15 2020

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