Chlorine in PDB 1pmu: The Crystal Structure of JNK3 in Complex with A Phenantroline Inhibitor

The structure of The Crystal Structure of JNK3 in Complex with A Phenantroline Inhibitor, PDB code: 1pmu was solved by G.Scapin, S.B.Patel, J.Lisnock, J.W.Becker, P.V.Lograsso, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.70
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	62.401, 62.377, 98.119, 90.00, 90.00, 90.00
R / Rfree (%)	n/a / n/a

The binding sites of Chlorine atom in the The Crystal Structure of JNK3 in Complex with A Phenantroline Inhibitor (pdb code 1pmu). 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 The Crystal Structure of JNK3 in Complex with A Phenantroline Inhibitor, PDB code: 1pmu:

Chlorine binding site 1 out of 1 in the The Crystal Structure of JNK3 in Complex with A Phenantroline Inhibitor


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of The Crystal Structure of JNK3 in Complex with A Phenantroline Inhibitor within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1001 b:34.2 occ:1.00 NZ A:LYS346 3.0 39.9 1.0 CE A:LYS346 3.2 35.5 1.0 N A:CYS283 3.5 29.8 1.0 CB A:ASP343 3.6 25.4 1.0 CA A:PRO282 3.8 28.7 1.0 SG A:CYS283 4.0 30.0 1.0 C A:PRO282 4.1 28.4 1.0 N A:ASP343 4.2 21.4 1.0 CB A:CYS283 4.2 30.2 1.0 CB A:PRO282 4.4 29.6 1.0 CA A:CYS283 4.4 29.9 1.0 CA A:ASP343 4.5 22.0 1.0 CD A:LYS346 4.7 30.0 1.0 OD2 A:ASP343 4.7 31.9 1.0 CG A:ASP343 4.7 29.9 1.0 CB A:ILE342 4.9 18.5 1.0 O A:THR281 4.9 26.1 1.0

G.Scapin, S.B.Patel, J.Lisnock, J.W.Becker, P.V.Lograsso. The Structure of JNK3 in Complex with Small Molecule Inhibitors: Structural Basis For Potency and Selectivity Chem.Biol. V. 10 705 2003.
ISSN: ISSN 1074-5521
PubMed: 12954329
DOI: 10.1016/S1074-5521(03)00159-5