Fluorine in PDB 5o4a: Human Fgf in Complex with A Covalent Inhibitor

All present enzymatic activity of Human Fgf in Complex with A Covalent Inhibitor:
2.7.10.1;

The structure of Human Fgf in Complex with A Covalent Inhibitor, PDB code: 5o4a was solved by J.Debreczeni, J.Breed, H.Mukherjee, B.Aquila, C.Kaiser, S.Tentarelli, A.Whitty, N.Grimster, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	63.68 / 2.01
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	211.140, 57.270, 66.800, 90.00, 107.57, 90.00
R / Rfree (%)	21.7 / 22.5

The binding sites of Fluorine atom in the Human Fgf in Complex with A Covalent Inhibitor (pdb code 5o4a). 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 Human Fgf in Complex with A Covalent Inhibitor, PDB code: 5o4a:

Fluorine binding site 1 out of 1 in the Human Fgf in Complex with A Covalent Inhibitor


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Human Fgf in Complex with A Covalent Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:F802 b:0.2 occ:0.50 F B:9K8802 0.0 0.2 0.5 NZ B:LYS514 1.3 86.3 0.5 S B:9K8802 1.3 0.8 0.5 O1 B:9K8802 1.4 0.6 0.5 S B:9K8802 1.5 0.8 0.5 O1 B:9K8802 2.4 0.9 0.5 O B:9K8802 2.4 0.5 0.5 NZ B:LYS514 2.4 98.7 0.5 C7 B:9K8802 2.4 0.9 0.5 CE B:LYS514 2.5 83.0 0.5 C7 B:9K8802 2.5 0.7 0.5 CE B:LYS514 2.5 90.6 0.5 O B:9K8802 2.6 0.5 0.5 C1 B:9K8802 2.7 0.3 0.5 C1 B:9K8802 2.8 0.5 0.5 C2 B:9K8802 2.8 0.8 0.5 C2 B:9K8802 2.9 0.1 0.5 C B:9K8802 3.3 0.8 0.5 C6 B:9K8802 3.6 0.5 0.5 C B:9K8802 3.6 0.3 0.5 C6 B:9K8802 3.7 0.0 0.5 CD B:LYS514 3.7 73.8 0.5 CD B:LYS514 3.7 77.9 0.5 O B:HOH914 4.0 76.6 1.0 C3 B:9K8802 4.2 0.3 0.5 C3 B:9K8802 4.3 0.4 0.5 OE1 B:GLU531 4.4 68.8 1.0 O B:HOH910 4.6 74.5 1.0 O B:HOH968 4.8 62.0 1.0 C5 B:9K8802 4.8 0.4 0.5 C5 B:9K8802 4.8 98.1 0.5 CA B:GLY490 4.9 57.6 1.0 CG B:LYS514 4.9 61.8 0.5 CG B:LYS514 4.9 64.3 0.5 C4 B:9K8802 5.0 0.0 0.5

H.Mukherjee, J.Debreczeni, J.Breed, S.Tentarelli, B.Aquila, J.E.Dowling, A.Whitty, N.P.Grimster. A Study of the Reactivity of S(VI)-F Containing Warheads with Nucleophilic Amino-Acid Side Chains Under Physiological Conditions. Org. Biomol. Chem. V. 15 9685 2017.
ISSN: ESSN 1477-0539
PubMed: 29119993
DOI: 10.1039/C7OB02028G