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Fluorine in PDB 4kn6: Crystal Structure of Human Hypoxanthine-Guanine Phosphoribosyltransferase in Complex with 6-Fluoro-3-Hydroxy-2- Pyrazinecarboxamide (T-705) Ribose-5'-Monophosphate

Enzymatic activity of Crystal Structure of Human Hypoxanthine-Guanine Phosphoribosyltransferase in Complex with 6-Fluoro-3-Hydroxy-2- Pyrazinecarboxamide (T-705) Ribose-5'-Monophosphate

All present enzymatic activity of Crystal Structure of Human Hypoxanthine-Guanine Phosphoribosyltransferase in Complex with 6-Fluoro-3-Hydroxy-2- Pyrazinecarboxamide (T-705) Ribose-5'-Monophosphate:
2.4.2.8;

Protein crystallography data

The structure of Crystal Structure of Human Hypoxanthine-Guanine Phosphoribosyltransferase in Complex with 6-Fluoro-3-Hydroxy-2- Pyrazinecarboxamide (T-705) Ribose-5'-Monophosphate, PDB code: 4kn6 was solved by L.Naesens, L.Guddat, D.Keough, A.B.P.Van Kuilenburg, J.Meijer, J.Vandevoorde, J.Balzarini, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å) 43.06 / 2.73
Space group I 2 2 2
Cell size a, b, c (Å), α, β, γ (°) 46.858, 73.400, 109.134, 90.00, 90.00, 90.00
R / Rfree (%) 24.8 / 27.8

Fluorine Binding Sites:

The binding sites of Fluorine atom in the Crystal Structure of Human Hypoxanthine-Guanine Phosphoribosyltransferase in Complex with 6-Fluoro-3-Hydroxy-2- Pyrazinecarboxamide (T-705) Ribose-5'-Monophosphate (pdb code 4kn6). 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 Crystal Structure of Human Hypoxanthine-Guanine Phosphoribosyltransferase in Complex with 6-Fluoro-3-Hydroxy-2- Pyrazinecarboxamide (T-705) Ribose-5'-Monophosphate, PDB code: 4kn6:

Fluorine binding site 1 out of 1 in 4kn6

Go back to Fluorine Binding Sites List in 4kn6
Fluorine binding site 1 out of 1 in the Crystal Structure of Human Hypoxanthine-Guanine Phosphoribosyltransferase in Complex with 6-Fluoro-3-Hydroxy-2- Pyrazinecarboxamide (T-705) Ribose-5'-Monophosphate


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Crystal Structure of Human Hypoxanthine-Guanine Phosphoribosyltransferase in Complex with 6-Fluoro-3-Hydroxy-2- Pyrazinecarboxamide (T-705) Ribose-5'-Monophosphate within 5.0Å range:
probe atom residue distance (Å) B Occ
A:F301

b:49.0
occ:1.00
 FAI A:1RP301 0.0 49.0 1.0
CAP A:1RP301 1.3 44.6 1.0
NAL A:1RP301 2.3 39.9 1.0
CAJ A:1RP301 2.4 46.1 1.0
HB3 A:LEU192 2.8 35.8 1.0
O A:ASP193 3.0 22.3 1.0
H A:ASP193 3.3 31.6 1.0
HZ A:PHE186 3.4 29.8 1.0
HD21 A:LEU192 3.4 38.5 1.0
CAR A:1RP301 3.5 41.2 1.0
NAW A:1RP301 3.6 45.7 1.0
CB A:LEU192 3.7 29.9 1.0
N A:ASP193 3.8 26.3 1.0
CZ A:PHE186 3.9 24.8 1.0
HA A:LEU192 3.9 35.9 1.0
HD13 A:LEU192 4.0 35.1 1.0
CAQ A:1RP301 4.0 41.5 1.0
C A:ASP193 4.1 21.5 1.0
CD2 A:LEU192 4.2 32.1 1.0
CA A:LEU192 4.2 29.9 1.0
HB2 A:LEU192 4.3 35.8 1.0
O A:VAL187 4.3 20.2 1.0
HG12 A:VAL188 4.3 24.7 1.0
C A:LEU192 4.3 30.3 1.0
HE1 A:PHE186 4.4 29.7 1.0
CG A:LEU192 4.4 30.6 1.0
CE1 A:PHE186 4.4 24.8 1.0
HD22 A:LEU192 4.5 38.5 1.0
CE2 A:PHE186 4.5 26.9 1.0
HE2 A:PHE186 4.6 32.3 1.0
CA A:ASP193 4.6 21.5 1.0
CD1 A:LEU192 4.7 29.2 1.0
HA A:VAL188 4.7 22.7 1.0
C1' A:1RP301 4.8 44.9 1.0
CAO A:1RP301 4.8 39.5 1.0
OD1 A:ASP193 4.9 30.5 1.0
HA A:TYR194 4.9 29.4 1.0
HG21 A:ILE135 5.0 43.3 1.0
HD23 A:LEU192 5.0 38.5 1.0
NAA A:1RP301 5.0 34.6 1.0

Reference:

L.Naesens, L.W.Guddat, D.T.Keough, A.B.Van Kuilenburg, J.Meijer, J.Vande Voorde, J.Balzarini. Role of Human Hypoxanthine Guanine Phosphoribosyltransferase in Activation of the Antiviral Agent T-705 (Favipiravir). Mol.Pharmacol. V. 84 615 2013.
ISSN: ISSN 0026-895X
PubMed: 23907213
DOI: 10.1124/MOL.113.087247
Page generated: Thu Aug 1 03:16:11 2024

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