Fluorine in PDB 3dko: Complex Between the Kinase Domain of Human Ephrin Type-A Receptor 7 (EPHA7) and Inhibitor Alw-II-49-7

All present enzymatic activity of Complex Between the Kinase Domain of Human Ephrin Type-A Receptor 7 (EPHA7) and Inhibitor Alw-II-49-7:
2.7.10.1;

The structure of Complex Between the Kinase Domain of Human Ephrin Type-A Receptor 7 (EPHA7) and Inhibitor Alw-II-49-7, PDB code: 3dko was solved by J.R.Walker, F.Syeda, N.Gray, C.Butler-Cole, C.Bountra, M.Wolkstrom, C.H.Arrowsmith, A.M.Edwards, A.Bochkarev, S.Dhe-Paganon, Structuralgenomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	23.69 / 2.00
Space group	P 65
Cell size a, b, c (Å), α, β, γ (°)	52.658, 52.658, 217.059, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 23.2

The binding sites of Fluorine atom in the Complex Between the Kinase Domain of Human Ephrin Type-A Receptor 7 (EPHA7) and Inhibitor Alw-II-49-7 (pdb code 3dko). This binding sites where shown within 5.0 Angstroms radius around Fluorine atom.
In total 3 binding sites of Fluorine where determined in the Complex Between the Kinase Domain of Human Ephrin Type-A Receptor 7 (EPHA7) and Inhibitor Alw-II-49-7, PDB code: 3dko:
Jump to Fluorine binding site number: 1; 2; 3;

Fluorine binding site 1 out of 3 in the Complex Between the Kinase Domain of Human Ephrin Type-A Receptor 7 (EPHA7) and Inhibitor Alw-II-49-7


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 1 of Complex Between the Kinase Domain of Human Ephrin Type-A Receptor 7 (EPHA7) and Inhibitor Alw-II-49-7 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:52.4 occ:1.00 FAE A:IHZ1001 0.0 52.4 1.0 CBD A:IHZ1001 1.3 51.4 1.0 FAG A:IHZ1001 2.2 53.1 1.0 FAF A:IHZ1001 2.2 52.3 1.0 CBB A:IHZ1001 2.4 50.5 1.0 CAP A:IHZ1001 2.9 48.9 1.0 CAK A:IHZ1001 3.5 48.3 1.0 CG1 A:VAL694 3.7 39.9 1.0 CG A:MET686 4.0 49.7 1.0 O A:VAL774 4.1 35.8 1.0 CD2 A:PHE689 4.1 42.5 1.0 CG1 A:VAL695 4.2 43.2 1.0 CAX A:IHZ1001 4.2 48.4 1.0 CE2 A:PHE689 4.4 43.5 1.0 O A:VAL695 4.5 41.5 1.0 CA A:MET686 4.6 49.0 1.0 CA A:SER775 4.6 40.1 1.0 CB A:MET686 4.7 48.2 1.0 CAH A:IHZ1001 4.7 48.7 1.0 C A:VAL774 4.8 35.5 1.0 OAD A:IHZ1001 4.9 48.0 1.0 N A:VAL695 4.9 40.5 1.0 CAI A:IHZ1001 4.9 48.7 1.0 CE A:MET686 5.0 46.9 1.0

Fluorine binding site 2 out of 3 in the Complex Between the Kinase Domain of Human Ephrin Type-A Receptor 7 (EPHA7) and Inhibitor Alw-II-49-7


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 2 of Complex Between the Kinase Domain of Human Ephrin Type-A Receptor 7 (EPHA7) and Inhibitor Alw-II-49-7 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:52.3 occ:1.00 FAF A:IHZ1001 0.0 52.3 1.0 CBD A:IHZ1001 1.3 51.4 1.0 FAG A:IHZ1001 2.2 53.1 1.0 FAE A:IHZ1001 2.2 52.4 1.0 CBB A:IHZ1001 2.4 50.5 1.0 CAK A:IHZ1001 2.8 48.3 1.0 CE2 A:PHE689 3.6 43.5 1.0 CAP A:IHZ1001 3.7 48.9 1.0 CE2 A:TYR754 3.7 35.0 1.0 OH A:TYR754 3.9 36.7 1.0 CZ A:TYR754 4.0 35.6 1.0 CD2 A:PHE689 4.1 42.5 1.0 CAH A:IHZ1001 4.2 48.7 1.0 CD2 A:TYR754 4.5 35.9 1.0 CG2 A:ILE685 4.5 52.8 1.0 CZ A:PHE689 4.7 45.1 1.0 CD2 A:LEU749 4.7 34.5 1.0 CD2 A:HIS756 4.7 35.3 1.0 CD1 A:LEU749 4.7 35.0 1.0 O A:HOH1014 4.7 44.0 1.0 CAX A:IHZ1001 4.8 48.4 1.0 CG1 A:VAL694 4.9 39.9 1.0 CE1 A:TYR754 4.9 35.9 1.0 CAI A:IHZ1001 5.0 48.7 1.0

Fluorine binding site 3 out of 3 in the Complex Between the Kinase Domain of Human Ephrin Type-A Receptor 7 (EPHA7) and Inhibitor Alw-II-49-7


Mono view


Stereo pair view

A full contact list of Fluorine with other atoms in the F binding site number 3 of Complex Between the Kinase Domain of Human Ephrin Type-A Receptor 7 (EPHA7) and Inhibitor Alw-II-49-7 within 5.0Å range: probe atom residue distance (Å) B Occ A:F1001 b:53.1 occ:1.00 FAG A:IHZ1001 0.0 53.1 1.0 CBD A:IHZ1001 1.3 51.4 1.0 FAF A:IHZ1001 2.2 52.3 1.0 FAE A:IHZ1001 2.2 52.4 1.0 CBB A:IHZ1001 2.3 50.5 1.0 CAP A:IHZ1001 3.0 48.9 1.0 CA A:SER775 3.3 40.1 1.0 CAK A:IHZ1001 3.4 48.3 1.0 C A:SER775 3.4 40.9 1.0 O A:SER775 3.5 39.9 1.0 O A:VAL774 3.6 35.8 1.0 N A:SER775 3.6 36.9 1.0 C A:VAL774 3.7 35.5 1.0 CG1 A:VAL774 3.8 31.7 1.0 N A:ASP776 4.0 44.2 1.0 NE2 A:HIS756 4.1 35.0 1.0 CD2 A:HIS756 4.1 35.3 1.0 CAX A:IHZ1001 4.3 48.4 1.0 CB A:ASP776 4.4 46.0 1.0 CAH A:IHZ1001 4.5 48.7 1.0 CB A:VAL774 4.6 33.0 1.0 OAD A:IHZ1001 4.7 48.0 1.0 CG1 A:VAL694 4.7 39.9 1.0 CA A:VAL774 4.8 33.4 1.0 CB A:SER775 4.8 40.5 1.0 CA A:ASP776 4.9 46.0 1.0 CG1 A:VAL695 4.9 43.2 1.0 CAI A:IHZ1001 4.9 48.7 1.0 CD1 A:LEU749 5.0 35.0 1.0

J.R.Walker, F.Syeda, N.Gray, C.Butler-Cole, C.Bountra, M.Wolkstrom, C.H.Arrowsmith, A.M.Edwards, A.Bochkarev, S.Dhe-Paganon. Kinase Domain of Human Ephrin Type-A Receptor 7 (EPHA7) in Complex with Alw-II-49-7 To Be Published.