Chlorine in PDB 2vwx: EPHB4 Kinase Domain Inhibitor Complex

All present enzymatic activity of EPHB4 Kinase Domain Inhibitor Complex:
2.7.10.1;

The structure of EPHB4 Kinase Domain Inhibitor Complex, PDB code: 2vwx was solved by J.Read, C.A.Brassington, I.Green, E.J.Mccall, A.L.Valentine, D.Barratt, A.G.Leach, J.G.Kettle, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	57.45 / 1.65
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	45.777, 53.451, 61.347, 90.00, 110.57, 90.00
R / Rfree (%)	16.6 / 20.9

The structure of EPHB4 Kinase Domain Inhibitor Complex also contains other interesting chemical elements:

Magnesium

(Mg)

4 atoms

The binding sites of Chlorine atom in the EPHB4 Kinase Domain Inhibitor Complex (pdb code 2vwx). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total only one binding site of Chlorine was determined in the EPHB4 Kinase Domain Inhibitor Complex, PDB code: 2vwx:

Chlorine binding site 1 out of 1 in the EPHB4 Kinase Domain Inhibitor Complex


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of EPHB4 Kinase Domain Inhibitor Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1889 b:15.5 occ:1.00 CL2 A:7X41889 0.0 15.5 1.0 C25 A:7X41889 1.8 14.4 1.0 C17 A:7X41889 2.7 11.8 1.0 C24 A:7X41889 2.8 13.2 1.0 N16 A:7X41889 2.9 13.2 1.0 O A:HOH2125 3.2 23.3 1.0 O A:HOH2262 3.4 34.0 1.0 O A:HOH2045 3.5 34.9 1.0 O A:HOH2270 3.5 16.9 1.0 O A:HOH2210 3.6 14.1 1.0 OG A:SER757 3.7 12.0 1.0 CD1 A:LEU747 3.8 16.8 1.0 C15 A:7X41889 3.8 11.6 1.0 CB A:SER757 3.9 13.5 1.0 C18 A:7X41889 4.0 12.2 1.0 C23 A:7X41889 4.1 12.7 1.0 C14 A:7X41889 4.4 12.6 1.0 CG A:LEU747 4.5 13.6 1.0 C22 A:7X41889 4.6 11.4 1.0 CD2 A:LEU747 4.6 18.3 1.0 N27 A:7X41889 4.7 14.3 1.0 O A:HOH2056 4.8 16.1 1.0 NZ A:LYS647 4.8 15.4 1.0 CE A:LYS647 4.8 14.3 1.0 CD1 A:ILE677 4.8 13.3 0.5

C.Bardelle, T.Coleman, D.Cross, S.Davenport, J.G.Kettle, E.J.Ko, A.G.Leach, A.Mortlock, J.Read, N.J.Roberts, P.Robins, E.J.Williams. Inhibitors of the Tyrosine Kinase EPHB4. Part 2: Structure-Based Discovery and Optimisation of 3,5-Bis Substituted Anilinopyrimidines. Bioorg.Med.Chem.Lett. V. 18 5717 2008.
ISSN: ISSN 0960-894X
PubMed: 18851911
DOI: 10.1016/J.BMCL.2008.09.087