Chlorine in PDB 3q2m: Crystal Structure of Spectinomycin Phosphotransferase, Aph(9)-Ia, Protein Kinase Inhibitor Cki-7 Complex

The structure of Crystal Structure of Spectinomycin Phosphotransferase, Aph(9)-Ia, Protein Kinase Inhibitor Cki-7 Complex, PDB code: 3q2m was solved by A.M.Berghuis, D.H.Fong, B.Xiong, J.Hwang, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	31.32 / 2.90
Space group	P 31 2 1
Cell size a, b, c (Å), α, β, γ (°)	74.300, 74.300, 137.024, 90.00, 90.00, 120.00
R / Rfree (%)	22.1 / 27.9

The structure of Crystal Structure of Spectinomycin Phosphotransferase, Aph(9)-Ia, Protein Kinase Inhibitor Cki-7 Complex also contains other interesting chemical elements:

Nickel

(Ni)

1 atom

The binding sites of Chlorine atom in the Crystal Structure of Spectinomycin Phosphotransferase, Aph(9)-Ia, Protein Kinase Inhibitor Cki-7 Complex (pdb code 3q2m). 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 Crystal Structure of Spectinomycin Phosphotransferase, Aph(9)-Ia, Protein Kinase Inhibitor Cki-7 Complex, PDB code: 3q2m:

Chlorine binding site 1 out of 1 in the Crystal Structure of Spectinomycin Phosphotransferase, Aph(9)-Ia, Protein Kinase Inhibitor Cki-7 Complex


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 Spectinomycin Phosphotransferase, Aph(9)-Ia, Protein Kinase Inhibitor Cki-7 Complex within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl400 b:67.5 occ:1.00 CL5 A:CKI400 0.0 67.5 1.0 C5 A:CKI400 1.7 61.7 1.0 C6 A:CKI400 2.7 63.2 1.0 C10 A:CKI400 2.8 59.8 1.0 C4 A:CKI400 3.1 59.8 1.0 O A:HOH509 3.6 22.9 1.0 CB A:ILE229 4.0 43.3 1.0 C7 A:CKI400 4.0 62.0 1.0 CE1 A:PHE50 4.1 47.4 1.0 C9 A:CKI400 4.1 60.5 1.0 CG2 A:ILE229 4.2 43.4 1.0 CD1 A:ILE229 4.2 38.4 1.0 NZ A:LYS52 4.3 55.6 1.0 CZ A:PHE50 4.5 46.7 1.0 CD1 A:PHE50 4.6 48.7 1.0 C3 A:CKI400 4.6 61.3 1.0 CD1 A:ILE78 4.6 31.6 1.0 C8 A:CKI400 4.6 61.6 1.0 CG1 A:ILE229 4.6 40.1 1.0 CE A:LYS52 4.8 57.6 1.0 N A:ASP230 5.0 50.5 1.0

D.H.Fong, B.Xiong, J.Hwang, A.M.Berghuis. Crystal Structures of Two Aminoglycoside Kinases Bound with A Eukaryotic Protein Kinase Inhibitor. Plos One V. 6 19589 2011.
ISSN: ESSN 1932-6203
PubMed: 21573013
DOI: 10.1371/JOURNAL.PONE.0019589