Chlorine in PDB 2p9a: E. Coli Methionine Aminopeptidase Dimetalated with Inhibitor YE6

All present enzymatic activity of E. Coli Methionine Aminopeptidase Dimetalated with Inhibitor YE6:
3.4.11.18;

The structure of E. Coli Methionine Aminopeptidase Dimetalated with Inhibitor YE6, PDB code: 2p9a was solved by Q.Ye, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.60
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	37.986, 60.649, 50.486, 90.00, 104.82, 90.00
R / Rfree (%)	20.6 / 23.1

The structure of E. Coli Methionine Aminopeptidase Dimetalated with Inhibitor YE6 also contains other interesting chemical elements:

Manganese	(Mn)	2 atoms
Sodium	(Na)	1 atom

The binding sites of Chlorine atom in the E. Coli Methionine Aminopeptidase Dimetalated with Inhibitor YE6 (pdb code 2p9a). 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 E. Coli Methionine Aminopeptidase Dimetalated with Inhibitor YE6, PDB code: 2p9a:

Chlorine binding site 1 out of 1 in the E. Coli Methionine Aminopeptidase Dimetalated with Inhibitor YE6


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of E. Coli Methionine Aminopeptidase Dimetalated with Inhibitor YE6 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl267 b:23.9 occ:1.00 CLAP A:YE6267 0.0 23.9 1.0 CAG A:YE6267 1.7 29.4 1.0 CAH A:YE6267 2.7 29.7 1.0 CAF A:YE6267 2.7 27.6 1.0 CAC A:YE6267 2.9 25.3 1.0 CAD A:YE6267 3.1 26.6 1.0 CZ3 A:TRP221 3.4 22.5 1.0 CB A:HIS63 3.6 28.1 1.0 CD2 A:HIS63 3.6 31.4 1.0 CH2 A:TRP221 3.6 22.6 1.0 CG A:HIS63 3.8 30.9 1.0 CAI A:YE6267 4.0 30.8 1.0 CAK A:YE6267 4.0 29.5 1.0 CAB A:YE6267 4.2 24.7 1.0 OAN A:YE6267 4.5 24.3 1.0 CAJ A:YE6267 4.5 29.7 1.0 CE3 A:TRP221 4.6 21.6 1.0 NE2 A:HIS63 4.6 31.9 1.0 CE1 A:HIS79 4.8 18.1 1.0 O A:HOH429 4.8 45.0 1.0 ND1 A:HIS63 4.9 32.6 1.0 CZ2 A:TRP221 4.9 21.4 1.0 O A:TYR62 4.9 23.0 1.0 CAA A:YE6267 5.0 22.0 1.0

M.Huang, S.X.Xie, Z.Q.Ma, Q.Q.Huang, F.J.Nan, Q.Z.Ye. Inhibition of Monometalated Methionine Aminopeptidase: Inhibitor Discovery and Crystallographic Analysis. J.Med.Chem. V. 50 5735 2007.
ISSN: ISSN 0022-2623
PubMed: 17948983
DOI: 10.1021/JM700930K