Chlorine in PDB 2jav: Human Kinase with Pyrrole-Indolinone Ligand

The structure of Human Kinase with Pyrrole-Indolinone Ligand, PDB code: 2jav was solved by A.C.W.Pike, P.Rellos, S.Das, O.Fedorov, E.Papagrigoriou, J.E.Debreczeni, A.P.Turnbull, F.Gorrec, J.Bray, M.Sundstrom, C.H.Arrowsmith, A.Edwards, J.Weigelt, F.Von Delft, S.Knapp, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	41.634, 56.924, 66.012, 90.00, 95.98, 90.00
R / Rfree (%)	21.4 / 27.7

The binding sites of Chlorine atom in the Human Kinase with Pyrrole-Indolinone Ligand (pdb code 2jav). 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 Human Kinase with Pyrrole-Indolinone Ligand, PDB code: 2jav:

Chlorine binding site 1 out of 1 in the Human Kinase with Pyrrole-Indolinone Ligand


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Human Kinase with Pyrrole-Indolinone Ligand within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1280 b:31.2 occ:1.00 CL1 A:5Z51280 0.0 31.2 1.0 C1 A:5Z51280 1.7 29.1 1.0 C4 A:5Z51280 2.7 29.5 1.0 C2 A:5Z51280 2.7 29.0 1.0 CD2 A:LEU162 3.1 49.8 1.0 O A:HOH2054 3.7 54.6 1.0 O A:HOH2053 3.8 55.7 1.0 CZ A:PHE148 3.9 24.9 1.0 CE A:LYS37 4.0 29.1 1.0 C3 A:5Z51280 4.0 29.2 1.0 CE1 A:PHE148 4.0 23.0 1.0 C5 A:5Z51280 4.0 29.4 1.0 NZ A:LYS37 4.1 30.5 1.0 O A:HOH2007 4.2 41.6 1.0 CD1 A:LEU162 4.3 50.4 1.0 CG A:LEU162 4.3 49.7 1.0 CD1 A:LEU166 4.3 52.6 1.0 C6 A:5Z51280 4.5 28.1 1.0 CE2 A:PHE148 4.8 25.1 1.0 OD1 A:ASN146 4.9 26.7 0.5 CD1 A:PHE148 5.0 24.7 1.0

P.Rellos, F.J.Ivins, J.E.Baxter, A.C.W.Pike, T.J.Nott, D.-M.Parkinson, S.Das, S.Howell, O.Fedorov, Q.Y.Shen, A.M.Fry, S.Knapp, S.J.Smerdon. Structure and Regulation of the Human NEK2 Centrosomal Kinase J.Biol.Chem. V. 282 6833 2007.
ISSN: ISSN 0021-9258
PubMed: 17197699
DOI: 10.1074/JBC.M609721200