Chlorine in PDB 1kv1: P38 Map Kinase in Complex with Inhibitor 1

The structure of P38 Map Kinase in Complex with Inhibitor 1, PDB code: 1kv1 was solved by C.Pargellis, L.Tong, L.Churchill, P.F.Cirillo, T.Gilmore, A.G.Graham, P.M.Grob, E.R.Hickey, N.Moss, S.Pav, J.Regan, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	30.00 / 2.50
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	65.000, 74.400, 77.100, 90.00, 90.00, 90.00
R / Rfree (%)	22.1 / 28.4

The binding sites of Chlorine atom in the P38 Map Kinase in Complex with Inhibitor 1 (pdb code 1kv1). 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 P38 Map Kinase in Complex with Inhibitor 1, PDB code: 1kv1:

Chlorine binding site 1 out of 1 in the P38 Map Kinase in Complex with Inhibitor 1


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of P38 Map Kinase in Complex with Inhibitor 1 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl391 b:29.6 occ:1.00 CL6 A:BMU391 0.0 29.6 1.0 C6 A:BMU391 1.7 25.4 1.0 C5 A:BMU391 2.6 24.3 1.0 C7 A:BMU391 2.7 24.1 1.0 CG2 A:THR106 3.9 25.9 1.0 C4 A:BMU391 3.9 25.4 1.0 C8 A:BMU391 4.0 24.2 1.0 CG1 A:VAL38 4.1 37.2 1.0 CG2 A:VAL38 4.2 35.1 1.0 CB A:LYS53 4.2 31.9 1.0 CB A:ALA51 4.3 30.1 1.0 C3 A:BMU391 4.5 24.4 1.0 CE1 A:PHE169 4.6 38.1 1.0 CD A:LYS53 4.8 36.7 1.0 CB A:VAL38 4.8 37.7 1.0 CD1 A:ILE84 5.0 16.8 1.0 CG A:LYS53 5.0 35.0 1.0

C.Pargellis, L.Tong, L.Churchill, P.F.Cirillo, T.Gilmore, A.G.Graham, P.M.Grob, E.R.Hickey, N.Moss, S.Pav, J.Regan. Inhibition of P38 Map Kinase By Utilizing A Novel Allosteric Binding Site. Nat.Struct.Biol. V. 9 268 2002.
ISSN: ISSN 1072-8368
PubMed: 11896401
DOI: 10.1038/NSB770