Chlorine in PDB 3hng: Crystal Structure of VEGFR1 in Complex with N-(4-Chlorophenyl)-2- ((Pyridin-4-Ylmethyl)Amino)Benzamide

All present enzymatic activity of Crystal Structure of VEGFR1 in Complex with N-(4-Chlorophenyl)-2- ((Pyridin-4-Ylmethyl)Amino)Benzamide:
2.7.10.1;

The structure of Crystal Structure of VEGFR1 in Complex with N-(4-Chlorophenyl)-2- ((Pyridin-4-Ylmethyl)Amino)Benzamide, PDB code: 3hng was solved by L.Tresaugues, A.Roos, C.H.Arrowsmith, H.Berglund, C.Bountra, R.Collins, A.M.Edwards, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, A.Johansson, I.Johansson, T.Karlberg, T.Kotenyova, M.Moche, T.Nyman, C.Persson, T.Kragh-Nielsen, A.Kotzch, J.Sagemark, H.Schueler, P.Schutz, M.I.Siponen, L.Svensson, A.G.Thorsell, S.Van Der Berg, J.Weigelt, M.Welin, M.Wisniewska, P.Nordlund, Structural Genomics Consortium (Sgc), with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	44.99 / 2.70
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	58.040, 71.150, 196.020, 90.00, 90.00, 90.00
R / Rfree (%)	19.4 / 26

The binding sites of Chlorine atom in the Crystal Structure of VEGFR1 in Complex with N-(4-Chlorophenyl)-2- ((Pyridin-4-Ylmethyl)Amino)Benzamide (pdb code 3hng). 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 VEGFR1 in Complex with N-(4-Chlorophenyl)-2- ((Pyridin-4-Ylmethyl)Amino)Benzamide, PDB code: 3hng:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of VEGFR1 in Complex with N-(4-Chlorophenyl)-2- ((Pyridin-4-Ylmethyl)Amino)Benzamide


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 VEGFR1 in Complex with N-(4-Chlorophenyl)-2- ((Pyridin-4-Ylmethyl)Amino)Benzamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl2001 b:46.1 occ:1.00 CL16 A:8ST2001 0.0 46.1 1.0 C13 A:8ST2001 1.8 40.6 1.0 C12 A:8ST2001 2.7 37.7 1.0 C14 A:8ST2001 2.8 38.1 1.0 CD1 A:LEU1013 3.5 24.9 1.0 CD2 A:HIS1020 3.9 26.5 1.0 C15 A:8ST2001 4.0 36.0 1.0 C11 A:8ST2001 4.0 36.8 1.0 CD2 A:LEU1013 4.3 24.1 1.0 NE2 A:HIS1020 4.4 27.4 1.0 C10 A:8ST2001 4.5 34.4 1.0 CG A:LEU1013 4.6 24.4 1.0 CG2 A:ILE1038 4.6 24.4 1.0 SG A:CYS1018 4.7 33.0 1.0 CG1 A:VAL891 4.8 22.7 1.0 CD1 A:ILE885 4.9 37.9 1.0 CG A:HIS1020 5.0 26.6 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of VEGFR1 in Complex with N-(4-Chlorophenyl)-2- ((Pyridin-4-Ylmethyl)Amino)Benzamide


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 VEGFR1 in Complex with N-(4-Chlorophenyl)-2- ((Pyridin-4-Ylmethyl)Amino)Benzamide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl3035 b:67.8 occ:1.00 N A:LYS850 3.5 28.0 1.0 O A:LEU895 3.8 24.3 1.0 CD1 A:PHE822 4.0 24.2 1.0 CA A:LYS850 4.1 29.2 1.0 O A:GLU821 4.1 22.9 1.0 O A:TRP820 4.2 22.6 1.0 O A:LYS819 4.3 23.4 1.0 NZ A:LYS851 4.4 38.7 1.0 CB A:PHE822 4.5 24.5 1.0 C A:ILE849 4.6 26.8 1.0 C A:TRP820 4.6 23.1 1.0 CA A:GLY896 4.7 24.3 1.0 CG A:PHE822 4.7 24.3 1.0 CA A:ILE849 4.7 26.1 1.0 CE1 A:PHE822 4.8 24.6 1.0 N A:LYS851 4.8 29.6 1.0 CA A:TRP820 4.8 23.9 1.0 C A:LEU895 4.9 24.0 1.0 C A:GLU821 4.9 23.1 1.0 C A:LYS850 4.9 29.3 1.0 CE A:LYS851 4.9 36.5 1.0 CD1 A:ILE849 5.0 29.0 1.0

L.Tresaugues, A.Roos, C.H.Arrowsmith, H.Berglund, C.Bountra, R.Collins, A.M.Edwards, S.Flodin, A.Flores, S.Graslund, M.Hammarstrom, A.Johansson, I.Johansson, T.Karlberg, T.Kotenyova, M.Moche, T.Nyman, C.Persson, T.Kragh-Nielsen, A.Kotzch, J.Sagemark, H.Schueler, P.Schutz, M.I.Siponen, L.Svensson, A.G.Thorsell, S.Van Der Berg, J.Weigelt, M.Welin, M.Wisniewska, P.Nordlund. Crystal Structure of VEGFR1 in Complex with N-(4-Chlorophenyl)-2-((Pyridin-4-Ylmethyl)Amino)Benzamide To Be Published.