Chlorine in PDB 3qbn: Structure of Human Aurora A in Complex with A Diaminopyrimidine

All present enzymatic activity of Structure of Human Aurora A in Complex with A Diaminopyrimidine:
2.7.11.1;

The structure of Structure of Human Aurora A in Complex with A Diaminopyrimidine, PDB code: 3qbn was solved by C.Gruetter, J.R.Simard, D.Rauh, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.00 / 3.50
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	84.200, 84.200, 169.330, 90.00, 90.00, 120.00
R / Rfree (%)	24.4 / 33.4

The binding sites of Chlorine atom in the Structure of Human Aurora A in Complex with A Diaminopyrimidine (pdb code 3qbn). 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 Human Aurora A in Complex with A Diaminopyrimidine, PDB code: 3qbn:

Chlorine binding site 1 out of 1 in the Structure of Human Aurora A in Complex with A Diaminopyrimidine


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of Structure of Human Aurora A in Complex with A Diaminopyrimidine within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl1 b:0.2 occ:1.00 CL5 A:E9Z1 0.0 0.2 1.0 C5 A:E9Z1 1.7 0.8 1.0 C6 A:E9Z1 2.7 0.3 1.0 C4 A:E9Z1 2.8 0.5 1.0 NAO A:E9Z1 3.1 0.5 1.0 CD1 A:LEU210 3.2 0.1 1.0 CB A:ALA160 3.8 0.0 1.0 CD2 A:LEU194 3.9 0.5 1.0 N1 A:E9Z1 3.9 0.0 1.0 CG2 A:VAL147 4.0 0.4 1.0 N3 A:E9Z1 4.0 0.7 1.0 O A:GLU211 4.1 0.3 1.0 CB A:LEU210 4.1 0.8 1.0 CD1 A:LEU263 4.1 99.2 1.0 CG A:LEU210 4.3 0.2 1.0 C2 A:E9Z1 4.5 0.0 1.0 CAW A:E9Z1 4.5 0.8 1.0

S.Tueckmantel, J.N.Greul, P.Janning, A.Brockmeyer, C.Gruetter, J.R.Simard, O.Gutbrod, M.E.Beck, K.Tietjen, D.Rauh, P.H.Schreier. Identification of Ustilago Maydis Aurora Kinase As A Novel Antifungal Target. Acs Chem.Biol. V. 6 926 2011.
ISSN: ISSN 1554-8929
PubMed: 21671622
DOI: 10.1021/CB200112Y