Zinc in PDB 1ji3: Crystal Structure of the First Thermostable Bacterial Lipase From Bacillus Stearothermophilus

All present enzymatic activity of Crystal Structure of the First Thermostable Bacterial Lipase From Bacillus Stearothermophilus:
3.1.1.3;

The structure of Crystal Structure of the First Thermostable Bacterial Lipase From Bacillus Stearothermophilus, PDB code: 1ji3 was solved by J.D.A.Tyndall, S.Sinchaikul, L.A.Fothergill-Gilmore, P.Taylor, M.D.Walkinshaw, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	100.00 / 2.20
Space group	C 1 2 1
Cell size a, b, c (Å), α, β, γ (°)	118.500, 81.237, 99.782, 90.00, 96.33, 90.00
R / Rfree (%)	16.6 / 21

The structure of Crystal Structure of the First Thermostable Bacterial Lipase From Bacillus Stearothermophilus also contains other interesting chemical elements:

Calcium

(Ca)

2 atoms

The binding sites of Zinc atom in the Crystal Structure of the First Thermostable Bacterial Lipase From Bacillus Stearothermophilus (pdb code 1ji3). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total 2 binding sites of Zinc where determined in the Crystal Structure of the First Thermostable Bacterial Lipase From Bacillus Stearothermophilus, PDB code: 1ji3:
Jump to Zinc binding site number: 1; 2;

Zinc binding site 1 out of 2 in the Crystal Structure of the First Thermostable Bacterial Lipase From Bacillus Stearothermophilus


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 the First Thermostable Bacterial Lipase From Bacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn402 b:26.2 occ:1.00 OD2 A:ASP238 2.0 22.9 1.0 NE2 A:HIS81 2.0 17.6 1.0 NE2 A:HIS87 2.1 16.2 1.0 OD1 A:ASP61 2.1 22.4 1.0 OD2 A:ASP61 2.5 23.1 1.0 CG A:ASP61 2.7 21.4 1.0 CG A:ASP238 2.7 23.6 1.0 OD1 A:ASP238 2.9 19.5 1.0 CD2 A:HIS81 3.0 18.2 1.0 CE1 A:HIS81 3.0 18.8 1.0 CD2 A:HIS87 3.0 18.8 1.0 CE1 A:HIS87 3.2 20.9 1.0 OG A:SER58 3.9 18.4 1.0 ND1 A:HIS81 4.1 20.3 1.0 CG A:HIS81 4.1 21.7 1.0 CB A:ASP238 4.1 20.6 1.0 CG A:HIS87 4.2 19.6 1.0 O A:HOH503 4.2 23.6 1.0 CB A:ASP61 4.2 20.4 1.0 ND1 A:HIS87 4.3 21.1 1.0 CD1 A:TRP60 4.7 23.2 1.0 ND1 A:HIS85 4.8 31.1 1.0 O A:ASP238 4.9 18.4 1.0 CA A:ASP61 4.9 19.9 1.0 N A:ASP61 4.9 18.6 1.0 CB A:HIS85 4.9 27.6 1.0

Zinc binding site 2 out of 2 in the Crystal Structure of the First Thermostable Bacterial Lipase From Bacillus Stearothermophilus


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 the First Thermostable Bacterial Lipase From Bacillus Stearothermophilus within 5.0Å range: probe atom residue distance (Å) B Occ B:Zn404 b:23.5 occ:1.00 OD2 B:ASP238 1.9 18.6 1.0 NE2 B:HIS81 2.0 24.3 1.0 OD1 B:ASP61 2.1 16.5 1.0 NE2 B:HIS87 2.1 14.6 1.0 OD2 B:ASP61 2.5 16.3 1.0 CG B:ASP61 2.7 16.8 1.0 CG B:ASP238 2.7 17.4 1.0 OD1 B:ASP238 2.9 17.0 1.0 CD2 B:HIS81 3.0 23.3 1.0 CE1 B:HIS81 3.0 21.2 1.0 CD2 B:HIS87 3.0 18.2 1.0 CE1 B:HIS87 3.2 19.8 1.0 OG B:SER58 4.0 21.3 1.0 ND1 B:HIS81 4.1 19.1 1.0 CG B:HIS81 4.1 21.6 1.0 O B:HOH435 4.2 22.1 1.0 CB B:ASP238 4.2 17.9 1.0 CG B:HIS87 4.2 13.7 1.0 CB B:ASP61 4.2 15.9 1.0 ND1 B:HIS87 4.3 15.2 1.0 CD1 B:TRP60 4.6 20.1 1.0 CD2 B:HIS85 4.7 19.4 1.0 N B:ASP61 4.9 15.5 1.0 CA B:ASP61 4.9 15.7 1.0 O B:ASP238 4.9 16.9 1.0 CB B:HIS85 5.0 23.5 1.0

J.D.A.Tyndall, S.Sinchaikul, L.A.Fothergill-Gilmore, P.Taylor, M.D.Walkinshaw. Crystal Structure of A Thermostable Lipase From Bacillus Stearothermophilus P1 J.Mol.Biol. V. 323 859 2002.
ISSN: ISSN 0022-2836
PubMed: 12417199
DOI: 10.1016/S0022-2836(02)01004-5