Chlorine in PDB 3hq1: Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+:
2.3.3.13;

The structure of Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+, PDB code: 3hq1 was solved by N.Koon, C.J.Squire, E.N.Baker, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	38.69 / 1.70
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.361, 154.803, 69.115, 90.00, 98.04, 90.00
R / Rfree (%)	17 / 20.4

The structure of Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+ also contains other interesting chemical elements:

Manganese

(Mn)

3 atoms

The binding sites of Chlorine atom in the Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+ (pdb code 3hq1). This binding sites where shown within 5.0 Angstroms radius around Chlorine atom.
In total 2 binding sites of Chlorine where determined in the Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+, PDB code: 3hq1:
Jump to Chlorine binding site number: 1; 2;

Chlorine binding site 1 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+


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 Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl703 b:27.6 occ:1.00 O2 B:GOL708 3.2 38.0 1.0 O B:HOH749 3.3 31.6 1.0 N B:ILE627 3.3 17.6 1.0 CA A:GLY533 3.4 22.4 1.0 CB A:LEU535 3.5 23.4 1.0 N A:LEU535 3.5 23.2 1.0 C1 B:GOL708 3.6 36.3 1.0 C A:GLY533 3.6 22.1 1.0 CG1 B:ILE627 3.7 18.4 1.0 N A:PRO534 3.7 22.1 1.0 CD A:PRO534 3.8 21.5 1.0 CG2 B:ILE627 3.9 17.0 1.0 N A:ALA536 3.9 22.9 1.0 CA B:SER626 3.9 18.6 1.0 C2 B:GOL708 4.0 37.3 1.0 CA A:LEU535 4.0 23.5 1.0 O B:PRO625 4.1 20.5 1.0 N A:GLY533 4.1 23.0 1.0 C B:SER626 4.1 18.0 1.0 CB B:ILE627 4.2 17.7 1.0 O A:GLY533 4.2 21.2 1.0 CA B:ILE627 4.3 17.9 1.0 CG A:PRO534 4.4 23.0 1.0 C A:LEU535 4.5 23.5 1.0 C A:PRO534 4.5 22.8 1.0 CG A:LEU535 4.6 23.2 1.0 CD1 B:ILE627 4.7 19.1 1.0 OG B:SER626 4.7 18.7 1.0 CA A:PRO534 4.7 22.3 1.0 O1 B:GOL708 4.7 35.3 1.0 CB B:SER626 4.8 18.6 1.0 CD2 A:LEU535 4.8 23.3 1.0 CB A:ALA536 4.8 22.4 1.0 C B:PRO625 4.9 19.9 1.0 N B:SER626 4.9 19.3 1.0 C A:ASN532 4.9 23.8 1.0 CA A:ALA536 5.0 22.2 1.0

Chlorine binding site 2 out of 2 in the Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+


Mono view


Stereo pair view

A full contact list of Chlorine with other atoms in the Cl binding site number 2 of Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Citrate and MN2+ within 5.0Å range: probe atom residue distance (Å) B Occ A:Cl704 b:45.2 occ:1.00 N A:ILE627 3.3 19.5 1.0 O B:HOH944 3.4 33.4 1.0 CB B:LEU535 3.6 23.4 1.0 CG1 A:ILE627 3.6 20.6 1.0 N B:LEU535 3.6 23.1 1.0 CD B:PRO534 3.6 25.2 1.0 CA B:GLY533 3.6 24.5 1.0 CD1 A:ILE627 3.7 25.2 1.0 CB A:ILE627 3.7 19.9 1.0 N B:PRO534 3.8 24.6 1.0 C B:GLY533 3.8 24.8 1.0 CA A:ILE627 4.1 19.1 1.0 O A:HOH815 4.2 41.3 1.0 CA A:SER626 4.2 20.6 1.0 CA B:LEU535 4.2 23.3 1.0 O A:HOH681 4.2 42.5 1.0 C A:SER626 4.2 19.8 1.0 N B:GLY533 4.5 24.5 1.0 OG A:SER626 4.5 22.8 1.0 N B:ALA536 4.5 21.6 1.0 O B:GLY533 4.6 24.1 1.0 C B:PRO534 4.6 23.5 1.0 CA B:PRO534 4.7 24.1 1.0 O A:PRO625 4.8 21.2 1.0 CB A:SER626 4.8 20.2 1.0 CG B:LEU535 4.8 24.3 1.0 CG B:PRO534 4.9 24.7 1.0 CD2 B:LEU535 4.9 24.9 1.0 C B:LEU535 5.0 22.4 1.0 N A:THR628 5.0 17.6 1.0

N.Koon, C.J.Squire, E.N.Baker. Probing the Active Site of M. Tuberculosis Leua To Be Published.