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Fluorine in PDB 6dpq: 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: 6dpq 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) 29.36 / 2.94
Space group P 21 21 21
Cell size a, b, c (Å), α, β, γ (°) 85.604, 96.565, 130.764, 90.00, 90.00, 90.00
R / Rfree (%) 19.1 / 24

Other elements in 6dpq:

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

Iron (Fe) 1 atom
Chlorine (Cl) 1 atom

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1 (pdb code 6dpq). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total only one binding site of Fluorine was determined in the Mapping the Binding Trajectory of A Suicide Inhibitor in Human Indoleamine 2,3-Dioxygenase 1, PDB code: 6dpq:

Fluorine binding site 1 out of 1 in 6dpq

Go back to Fluorine Binding Sites List in 6dpq
Fluorine 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 Fluorine with other atoms in the F 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
B:F501

b:0.5
occ:1.00
 F B:H7P501 0.0 0.5 1.0
C11 B:H7P501 1.3 0.4 1.0
C12 B:H7P501 2.4 0.4 1.0
C10 B:H7P501 2.4 0.9 1.0
CB B:ALA264 2.6 0.1 1.0
CE2 B:PHE270 2.7 0.6 1.0
CE1 B:HIS346 3.2 0.4 1.0
CD2 B:PHE270 3.4 0.7 1.0
CZ B:PHE270 3.6 0.5 1.0
C13 B:H7P501 3.6 0.5 1.0
C9 B:H7P501 3.6 0.3 1.0
NE2 B:HIS346 3.7 0.4 1.0
O B:HOH607 3.7 0.7 1.0
ND1 B:HIS346 3.8 0.3 1.0
CA B:ALA264 3.9 0.0 1.0
C14 B:H7P501 4.1 0.0 1.0
C B:ALA264 4.2 0.5 1.0
N B:GLY265 4.4 0.1 1.0
CD1 B:LEU388 4.4 0.9 1.0
CD2 B:HIS346 4.5 0.7 1.0
CG B:HIS346 4.5 0.8 1.0
C4 B:H7P501 4.5 1.0 1.0
CG B:PHE270 4.6 0.5 1.0
O B:HOH666 4.6 97.4 1.0
N B:ALA264 4.6 0.0 1.0
CE1 B:PHE270 4.7 0.4 1.0
O3 B:GOL504 4.7 95.7 1.0
O B:H7P501 4.8 0.9 1.0
O B:ALA264 4.9 0.4 1.0
C8 B:H7P501 4.9 0.2 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: Thu Aug 1 19:09:45 2024

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