Chlorine in PDB 2vwv: 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: 2vwv was solved by J.Read, C.A.Brassington, I.Green, E.J.Mccall, A.L.Valentine, J.G.Kettle, A.G.Leach, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	53.61 / 1.90
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	47.154, 52.872, 57.090, 90.00, 110.06, 90.00
R / Rfree (%)	23.8 / 28.7

The binding sites of Chlorine atom in the EPHB4 Kinase Domain Inhibitor Complex (pdb code 2vwv). 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: 2vwv:

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:Cl1888 b:42.4 occ:1.00 CL1 A:7X31888 0.0 42.4 1.0 C28 A:7X31888 1.7 38.6 1.0 C3 A:7X31888 2.6 40.4 1.0 C27 A:7X31888 2.7 37.1 1.0 O2 A:7X31888 2.8 43.0 1.0 O17 A:7X31888 3.4 34.6 1.0 O A:ILE621 3.7 40.6 1.0 CA A:GLY622 3.7 43.0 1.0 C16 A:7X31888 3.7 32.1 1.0 CG1 A:ILE621 3.8 40.1 1.0 C18 A:7X31888 3.9 31.7 1.0 O A:HOH2014 3.9 45.3 1.0 C21 A:7X31888 3.9 38.2 1.0 C4 A:7X31888 3.9 39.5 1.0 C6 A:7X31888 4.0 39.3 1.0 C A:ILE621 4.0 41.0 1.0 N A:GLY622 4.0 41.8 1.0 CD1 A:ILE621 4.1 39.1 1.0 C15 A:7X31888 4.1 31.5 1.0 CG1 A:VAL629 4.2 40.2 1.0 CB A:VAL629 4.2 40.9 1.0 C1 A:7X31888 4.3 42.0 1.0 C19 A:7X31888 4.3 34.1 1.0 C5 A:7X31888 4.5 39.6 1.0 CB A:ILE621 4.6 39.4 1.0 C A:GLY622 4.7 44.6 1.0 O20 A:7X31888 4.7 35.7 1.0 CG2 A:VAL629 4.8 39.7 1.0 O A:HOH2016 4.8 46.4 1.0 O A:HOH2136 4.8 55.6 1.0 N26 A:7X31888 4.9 30.0 1.0 CA A:ILE621 5.0 40.4 1.0

C.Bardelle, 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 1: Structure-Based Design and Optimization of A Series of 2,4-Bis-Anilinopyrimidines Bioorg.Med.Chem.Lett. V. 18 2776 2008.
ISSN: ISSN 0960-894X
PubMed: 18434142
DOI: 10.1016/J.BMCL.2008.04.015