Zinc in PDB 3hpz: Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Bromopyruvate

All present enzymatic activity of Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Bromopyruvate:
2.3.3.13;

The structure of Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Bromopyruvate, PDB code: 3hpz 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)	43.64 / 2.20
Space group	P 1 21 1
Cell size a, b, c (Å), α, β, γ (°)	54.244, 154.849, 68.967, 90.00, 98.23, 90.00
R / Rfree (%)	18.3 / 25.2

The structure of Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Bromopyruvate also contains other interesting chemical elements:

Bromine	(Br)	1 atom
Chlorine	(Cl)	2 atoms

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

Zinc binding site 1 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Bromopyruvate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Bromopyruvate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:42.5 occ:0.50 ZN A:ZN701 0.0 42.5 0.5 ZN A:ZN701 1.8 35.9 0.3 NE2 A:HIS285 2.6 27.4 1.0 NE2 A:HIS287 2.7 25.2 1.0 OD2 A:ASP81 2.7 30.8 1.0 CE1 A:HIS287 3.1 30.0 1.0 O A:HOH677 3.2 30.7 1.0 CD2 A:HIS285 3.4 24.2 1.0 CG A:ASP81 3.5 31.5 1.0 CE1 A:HIS285 3.5 23.4 1.0 OD1 A:ASP81 3.5 34.8 1.0 OD1 A:ASN321 3.9 27.9 1.0 CD2 A:HIS287 3.9 26.9 1.0 ND1 A:HIS287 4.4 31.7 1.0 CG A:HIS285 4.4 22.8 1.0 ND1 A:HIS285 4.5 24.8 1.0 NH1 A:ARG80 4.5 41.3 1.0 NH2 A:ARG80 4.5 42.8 1.0 CG A:HIS287 4.8 26.0 1.0 CB A:ASP81 4.9 30.1 1.0 CG A:ASN321 4.9 23.2 1.0 CZ A:ARG80 5.0 43.4 1.0

Zinc binding site 2 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Bromopyruvate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 2 of Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Bromopyruvate within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:35.9 occ:0.30 ZN A:ZN701 0.0 35.9 0.3 ZN A:ZN701 1.8 42.5 0.5 OD1 A:ASN321 2.1 27.9 1.0 OD2 A:ASP81 2.1 30.8 1.0 NE2 A:HIS285 2.2 27.4 1.0 CE1 A:HIS287 2.3 30.0 1.0 NE2 A:HIS287 2.4 25.2 1.0 CG A:ASP81 2.9 31.5 1.0 CE1 A:HIS285 3.1 23.4 1.0 CG A:ASN321 3.1 23.2 1.0 OD1 A:ASP81 3.1 34.8 1.0 CD2 A:HIS285 3.2 24.2 1.0 ND1 A:HIS287 3.4 31.7 1.0 ND2 A:ASN321 3.5 25.3 1.0 CD2 A:HIS287 3.6 26.9 1.0 O A:HOH677 3.9 30.7 1.0 CG A:HIS287 4.1 26.0 1.0 ND1 A:HIS285 4.2 24.8 1.0 CB A:ASP81 4.3 30.1 1.0 CG A:HIS285 4.3 22.8 1.0 CB A:ASN321 4.4 20.4 1.0 CA A:ASN321 4.9 19.9 1.0 O A:HOH690 4.9 24.4 1.0

Zinc binding site 3 out of 3 in the Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Bromopyruvate


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 3 of Crystal Structure of Mycobacterium Tuberculosis Leua Complexed with Bromopyruvate within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn702 b:36.3 occ:1.00 OD2 B:ASP81 2.1 32.9 1.0 O2 B:BPV705 2.1 33.9 0.8 NE2 B:HIS287 2.2 26.2 1.0 NE2 B:HIS285 2.4 23.8 1.0 O3 B:BPV705 2.6 45.0 0.8 C1 B:BPV705 3.0 36.5 0.8 CE1 B:HIS287 3.0 25.3 1.0 CG B:ASP81 3.1 30.9 1.0 C2 B:BPV705 3.1 43.5 0.8 CD2 B:HIS285 3.1 20.7 1.0 OD1 B:ASP81 3.4 34.5 1.0 CD2 B:HIS287 3.4 25.6 1.0 CE1 B:HIS285 3.5 23.9 1.0 ND2 B:ASN321 3.8 23.4 1.0 O1 B:BPV705 4.1 31.7 0.8 ND1 B:HIS287 4.2 25.1 1.0 NH2 B:ARG80 4.3 26.0 1.0 CG B:HIS285 4.4 21.2 1.0 CB B:ASP81 4.4 28.3 1.0 CG B:HIS287 4.4 20.9 1.0 C3 B:BPV705 4.5 49.9 0.8 ND1 B:HIS285 4.5 22.6 1.0 CG B:ASN321 4.6 19.9 1.0 OD1 B:ASN321 4.6 19.7 1.0 BR B:BPV705 4.7 66.5 0.8 O B:HOH827 4.8 33.7 1.0 NH1 B:ARG80 5.0 31.0 1.0

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