Fluorine in PDB 1b99: 3'-Fluoro-Uridine Diphosphate Binding to Nucleoside Diphosphate Kinase

All present enzymatic activity of 3'-Fluoro-Uridine Diphosphate Binding to Nucleoside Diphosphate Kinase:
2.7.4.6;

The structure of 3'-Fluoro-Uridine Diphosphate Binding to Nucleoside Diphosphate Kinase, PDB code: 1b99 was solved by J.Janin, Y.Xu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	6.00 / 2.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	70.020, 105.310, 70.350, 90.00, 117.43, 90.00
R / Rfree (%)	20.7 / 30.4

The binding sites of Fluorine atom in the 3'-Fluoro-Uridine Diphosphate Binding to Nucleoside Diphosphate Kinase (pdb code 1b99). 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 3'-Fluoro-Uridine Diphosphate Binding to Nucleoside Diphosphate Kinase, PDB code: 1b99:

Fluorine binding site 1 out of 1 in the 3'-Fluoro-Uridine Diphosphate Binding to Nucleoside Diphosphate Kinase


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of 3'-Fluoro-Uridine Diphosphate Binding to Nucleoside Diphosphate Kinase within 5.0Å range: probe atom residue distance (Å) B Occ A:F160 b:19.2 occ:1.00 F3' A:FUP160 0.0 19.2 1.0 C3' A:FUP160 1.4 21.8 1.0 C4' A:FUP160 2.4 20.9 1.0 C2' A:FUP160 2.6 23.4 1.0 NZ A:LYS16 2.7 10.6 1.0 C5' A:FUP160 3.3 19.5 1.0 O4' A:FUP160 3.5 24.3 1.0 C1' A:FUP160 3.5 23.8 1.0 OH A:TYR56 3.6 17.0 1.0 CD2 A:LEU68 3.8 10.0 1.0 O2B A:FUP160 3.8 18.3 1.0 CZ A:TYR56 3.9 17.0 1.0 OD1 A:ASN119 4.0 23.0 1.0 CE A:LYS16 4.1 10.6 1.0 O5' A:FUP160 4.2 17.9 1.0 ND2 A:ASN119 4.2 23.0 1.0 CE1 A:TYR56 4.5 17.0 1.0 CE2 A:TYR56 4.5 17.0 1.0 CG A:ASN119 4.6 23.0 1.0 CD A:LYS16 4.8 10.6 1.0 CG A:LEU68 4.9 10.0 1.0 N1 A:FUP160 4.9 28.2 1.0

P.Gonin, Y.Xu, L.Milon, S.Dabernat, M.Morr, R.Kumar, M.L.Lacombe, J.Janin, I.Lascu. Catalytic Mechanism of Nucleoside Diphosphate Kinase Investigated Using Nucleotide Analogues, Viscosity Effects, and X-Ray Crystallography. Biochemistry V. 38 7265 1999.
ISSN: ISSN 0006-2960
PubMed: 10353838
DOI: 10.1021/BI982990V