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Chlorine in PDB 2qu5: Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Benzimidazole Inhibitor

Enzymatic activity of Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Benzimidazole Inhibitor

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

Protein crystallography data

The structure of Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Benzimidazole Inhibitor, PDB code: 2qu5 was solved by D.A.Whittington, J.L.Kim, A.M.Long, P.Rose, 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 / 2.95
Space group P 21 21 2
Cell size a, b, c (Å), α, β, γ (°) 66.852, 143.828, 58.483, 90.00, 90.00, 90.00
R / Rfree (%) 21.3 / 25.1

Other elements in 2qu5:

The structure of Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Benzimidazole Inhibitor also contains other interesting chemical elements:

Fluorine (F) 3 atoms

Chlorine Binding Sites:

The binding sites of Chlorine atom in the Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Benzimidazole Inhibitor (pdb code 2qu5). 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 Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Benzimidazole Inhibitor, PDB code: 2qu5:

Chlorine binding site 1 out of 1 in 2qu5

Go back to Chlorine Binding Sites List in 2qu5
Chlorine binding site 1 out of 1 in the Crystal Structure of the VEGFR2 Kinase Domain in Complex with A Benzimidazole 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 Benzimidazole Inhibitor within 5.0Å range:
probe atom residue distance (Å) B Occ
A:Cl501

b:56.8
occ:1.00
 CL44 A:276501 0.0 56.8 1.0
C36 A:276501 1.7 54.9 1.0
C37 A:276501 2.7 53.9 1.0
C35 A:276501 2.8 55.2 1.0
F46 A:276501 3.1 56.4 1.0
C43 A:276501 3.3 56.2 1.0
F45 A:276501 3.3 55.4 1.0
CD2 A:LEU1019 3.6 42.1 1.0
CG1 A:VAL898 3.8 41.2 1.0
CD1 A:LEU1019 3.9 38.0 1.0
CG2 A:ILE1044 4.0 33.6 1.0
C38 A:276501 4.0 52.4 1.0
C34 A:276501 4.1 53.0 1.0
CG A:LEU1019 4.2 40.7 1.0
CD1 A:ILE892 4.3 50.5 1.0
CD2 A:HIS1026 4.3 57.1 1.0
C33 A:276501 4.6 52.0 1.0
F47 A:276501 4.6 57.5 1.0
CD2 A:LEU889 4.7 53.1 1.0
CB A:ILE1044 4.7 34.3 1.0
O A:ILE1044 4.7 38.9 1.0

Reference:

M.H.Potashman, J.Bready, A.Coxon, T.M.Demelfi, L.Dipietro, N.Doerr, D.Elbaum, J.Estrada, P.Gallant, J.Germain, Y.Gu, J.C.Harmange, S.A.Kaufman, R.Kendall, J.L.Kim, G.N.Kumar, A.M.Long, S.Neervannan, V.F.Patel, A.Polverino, P.Rose, S.V.Plas, D.Whittington, R.Zanon, H.Zhao. Design, Synthesis, and Evaluation of Orally Active Benzimidazoles and Benzoxazoles As Vascular Endothelial Growth Factor-2 Receptor Tyrosine Kinase Inhibitors. J.Med.Chem. V. 50 4351 2007.
ISSN: ISSN 0022-2623
PubMed: 17696416
DOI: 10.1021/JM070034I
Page generated: Sat Dec 12 09:17:46 2020

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