Chlorine in PDB 1u4d: Structure of the ACK1 Kinase Domain Bound to Debromohymenialdisine

All present enzymatic activity of Structure of the ACK1 Kinase Domain Bound to Debromohymenialdisine:
2.7.1.112;

The structure of Structure of the ACK1 Kinase Domain Bound to Debromohymenialdisine, PDB code: 1u4d was solved by J.C.Lougheed, R.H.Chen, P.Mak, T.J.Stout, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.60 / 2.10
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	81.552, 42.918, 85.149, 90.00, 112.02, 90.00
R / Rfree (%)	20.3 / 24.8

The binding sites of Chlorine atom in the Structure of the ACK1 Kinase Domain Bound to Debromohymenialdisine (pdb code 1u4d). 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 Structure of the ACK1 Kinase Domain Bound to Debromohymenialdisine, PDB code: 1u4d:

Chlorine binding site 1 out of 1 in the Structure of the ACK1 Kinase Domain Bound to Debromohymenialdisine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of the ACK1 Kinase Domain Bound to Debromohymenialdisine within 5.0Å range: probe atom residue distance (Å) B Occ B:Cl502 b:35.4 occ:1.00 O B:HOH533 3.0 44.2 1.0 NH2 B:ARG251 3.3 26.3 1.0 NE B:ARG290 3.3 41.6 1.0 NH1 B:ARG251 3.3 26.5 1.0 N B:GLN287 3.3 35.8 1.0 CD B:ARG290 3.5 42.7 1.0 CG B:GLN287 3.7 38.7 1.0 CZ B:ARG251 3.8 26.6 1.0 NH2 B:ARG275 3.8 33.7 1.0 CA B:MET286 3.8 34.9 1.0 CB B:GLN287 3.9 37.9 1.0 CE1 B:TYR284 4.0 41.2 1.0 CG B:MET286 4.1 33.2 1.0 C B:MET286 4.1 34.4 1.0 OE1 B:GLN287 4.1 42.8 1.0 NE B:ARG275 4.1 34.4 1.0 O B:VAL285 4.2 38.5 1.0 CD B:GLN287 4.2 41.1 1.0 CA B:GLN287 4.2 37.2 1.0 CZ B:ARG275 4.3 30.9 1.0 CZ B:ARG290 4.3 43.4 1.0 CB B:MET286 4.5 34.7 1.0 CD1 B:TYR284 4.6 42.5 1.0 CG B:ARG290 4.7 41.8 1.0 NH2 B:ARG290 4.8 41.0 1.0 N B:MET286 4.9 35.8 1.0 C B:VAL285 4.9 37.1 1.0 CZ B:TYR284 5.0 40.3 1.0

J.C.Lougheed, R.H.Chen, P.Mak, T.J.Stout. Crystal Structures of the Phosphorylated and Unphosphorylated Kinase Domains of the CDC42-Associated Tyrosine Kinase ACK1. J.Biol.Chem. V. 279 44039 2004.
ISSN: ISSN 0021-9258
PubMed: 15308621
DOI: 10.1074/JBC.M406703200