Chlorine in PDB 3b8q: Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Naphthamide Inhibitor

All present enzymatic activity of Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Naphthamide Inhibitor:
2.7.10.1;

The structure of Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Naphthamide Inhibitor, PDB code: 3b8q was solved by D.A.Whittington, A.M.Long, Y.Gu, H.Zhao, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.75
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	55.116, 67.782, 88.089, 90.00, 92.14, 90.00
R / Rfree (%)	21.8 / 27.6

The binding sites of Chlorine atom in the Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Naphthamide Inhibitor (pdb code 3b8q). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Naphthamide Inhibitor, PDB code: 3b8q:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Naphthamide Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Naphthamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl501 b:28.1 occ:1.00 CL54 A:900501 0.0 28.1 1.0 C47 A:900501 1.7 32.4 1.0 C48 A:900501 2.7 30.3 1.0 C46 A:900501 2.7 33.0 1.0 C49 A:900501 4.0 29.7 1.0 CD1 A:ILE892 4.0 36.5 1.0 C45 A:900501 4.0 29.6 1.0 C44 A:900501 4.5 29.5 1.0 CD2 A:LEU1019 4.6 20.8 1.0 CD1 A:LEU1019 4.7 21.8 1.0 CD2 A:HIS1026 4.9 19.7 1.0 CA A:HIS1026 4.9 21.9 1.0 SG A:CYS1024 4.9 49.2 1.0 CG2 A:ILE888 5.0 14.1 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Naphthamide Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Naphthamide Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:33.0 occ:1.00 CL54 B:900502 0.0 33.0 1.0 C47 B:900502 1.7 32.1 1.0 C46 B:900502 2.7 32.2 1.0 C48 B:900502 2.7 32.2 1.0 CD1 B:ILE892 4.0 38.9 1.0 C45 B:900502 4.0 31.4 1.0 C49 B:900502 4.1 33.0 1.0 CD2 B:LEU1019 4.5 39.0 1.0 CA B:HIS1026 4.5 37.9 1.0 CD1 B:LEU1019 4.6 42.5 1.0 C44 B:900502 4.6 31.9 1.0 CD2 B:HIS1026 4.7 40.0 1.0 O B:ILE1025 4.8 44.2 1.0 CG B:HIS1026 4.9 39.5 1.0

J.C.Harmange, M.M.Weiss, J.Germain, A.J.Polverino, G.Borg, J.Bready, D.Chen, D.Choquette, A.Coxon, T.Demelfi, L.Dipietro, N.Doerr, J.Estrada, J.Flynn, R.F.Graceffa, S.P.Harriman, S.Kaufman, D.S.La, A.Long, M.W.Martin, S.Neervannan, V.F.Patel, M.Potashman, K.Regal, P.M.Roveto, M.L.Schrag, C.Starnes, A.Tasker, Y.Teffera, L.Wang, R.D.White, D.A.Whittington, R.Zanon. Naphthamides As Novel and Potent Vascular Endothelial Growth Factor Receptor Tyrosine Kinase Inhibitors: Design, Synthesis and Evaluation J.Med.Chem. V. 51 1649 2008.
ISSN: ISSN 0022-2623
PubMed: 18324761
DOI: 10.1021/JM701097Z