Chlorine in PDB 3iu9: M. Tuberculosis Methionine Aminopeptidase with Ni Inhibitor T07

All present enzymatic activity of M. Tuberculosis Methionine Aminopeptidase with Ni Inhibitor T07:
3.4.11.18;

The structure of M. Tuberculosis Methionine Aminopeptidase with Ni Inhibitor T07, PDB code: 3iu9 was solved by Q.Z.Ye, J.P.Lu, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	34.09 / 1.75
Space group	P 63
Cell size a, b, c (Å), α, β, γ (°)	106.216, 106.216, 50.794, 90.00, 90.00, 120.00
R / Rfree (%)	16.4 / 19.5

The structure of M. Tuberculosis Methionine Aminopeptidase with Ni Inhibitor T07 also contains other interesting chemical elements:

Nickel

(Ni)

2 atoms

The binding sites of Chlorine atom in the M. Tuberculosis Methionine Aminopeptidase with Ni Inhibitor T07 (pdb code 3iu9). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 3 binding sites of Chlorine where determined in the M. Tuberculosis Methionine Aminopeptidase with Ni Inhibitor T07, PDB code: 3iu9:
Jump to Chlorine binding site number: 1; 2; 3;

Chlorine binding site 1 out of 3 in the M. Tuberculosis Methionine Aminopeptidase with Ni Inhibitor T07


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 1 of M. Tuberculosis Methionine Aminopeptidase with Ni Inhibitor T07 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl288 b:23.8 occ:1.00 CL1 A:T07288 0.0 23.8 1.0 C2 A:T07288 1.8 15.9 1.0 C5 A:T07288 2.7 14.7 1.0 C3 A:T07288 2.7 11.0 1.0 C4 A:T07288 3.0 10.6 1.0 CE2 A:TYR97 3.5 12.1 1.0 NE2 A:HIS212 3.8 25.2 1.0 N1 A:T07288 3.9 10.4 1.0 CD2 A:TYR97 3.9 10.6 1.0 NE2 A:HIS114 4.0 14.5 1.0 C1 A:T07288 4.0 12.1 1.0 CE1 A:HIS114 4.0 15.5 1.0 C6 A:T07288 4.0 12.0 1.0 CZ3 A:TRP255 4.2 14.5 1.0 CZ A:TYR97 4.3 11.6 1.0 CE1 A:HIS212 4.5 19.3 1.0 C7 A:T07288 4.5 10.0 1.0 C9 A:T07288 4.5 12.8 1.0 OH A:TYR97 4.6 9.5 1.0 S A:T07288 4.6 11.8 1.0 CH2 A:TRP255 4.7 14.3 1.0 C8 A:T07288 4.7 11.4 1.0 CD2 A:HIS114 4.7 11.9 1.0 ND1 A:HIS114 4.8 13.3 1.0 CG A:TYR97 4.8 9.5 1.0 CE2 A:PHE211 4.9 10.2 1.0 CD2 A:HIS212 4.9 19.5 1.0 N3 A:T07288 5.0 12.6 1.0

Chlorine binding site 2 out of 3 in the M. Tuberculosis Methionine Aminopeptidase with Ni Inhibitor T07


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of M. Tuberculosis Methionine Aminopeptidase with Ni Inhibitor T07 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl288 b:14.0 occ:1.00 CL2 A:T07288 0.0 14.0 1.0 C1 A:T07288 1.7 12.1 1.0 C5 A:T07288 2.7 14.7 1.0 C7 A:T07288 2.7 10.0 1.0 OH A:TYR27 3.2 7.8 1.0 CG A:PHE211 3.4 12.0 1.0 CD1 A:TYR97 3.5 10.7 1.0 O A:SER93 3.6 10.6 1.0 CB A:PHE211 3.6 7.9 1.0 CD1 A:PHE211 3.7 12.4 1.0 CB A:SER93 3.7 8.4 1.0 CZ A:TYR27 3.8 6.6 1.0 CD2 A:PHE211 3.8 11.9 1.0 C2 A:T07288 3.9 15.9 1.0 CG A:TYR97 4.0 9.5 1.0 C A:SER93 4.0 9.1 1.0 C6 A:T07288 4.0 12.0 1.0 CE1 A:TYR97 4.0 11.0 1.0 CE2 A:TYR27 4.1 7.2 1.0 CB A:TYR97 4.3 9.0 1.0 CE1 A:PHE211 4.3 14.4 1.0 CE2 A:PHE211 4.4 10.2 1.0 CA A:SER93 4.5 8.1 1.0 C3 A:T07288 4.5 11.0 1.0 N A:THR94 4.5 8.8 1.0 CE1 A:HIS140 4.6 9.9 1.0 CE1 A:TYR27 4.6 9.4 1.0 CZ A:PHE211 4.6 16.8 1.0 CD2 A:TYR97 4.7 10.6 1.0 CA A:THR94 4.7 9.6 1.0 CZ A:TYR97 4.7 11.6 1.0 ND1 A:HIS140 4.8 9.6 1.0 OG A:SER93 4.8 8.8 1.0

Chlorine binding site 3 out of 3 in the M. Tuberculosis Methionine Aminopeptidase with Ni Inhibitor T07


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 3 of M. Tuberculosis Methionine Aminopeptidase with Ni Inhibitor T07 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl290 b:42.9 occ:1.00 NH2 A:ARG169 3.7 29.8 1.0 NH1 A:ARG193 3.8 27.7 1.0 NH1 A:ARG169 3.8 24.4 1.0 NH2 A:ARG193 3.8 22.8 1.0 CZ A:ARG169 4.2 27.3 1.0 CZ A:ARG193 4.3 25.1 1.0

J.P.Lu, S.C.Chai, Q.Z.Ye. Catalysis and Inhibition of Mycobacterium Tuberculosis Methionine Aminopeptidase J.Med.Chem. V. 53 1329 2010.
ISSN: ISSN 0022-2623
PubMed: 20038112
DOI: 10.1021/JM901624N