Zinc in PDB 7akn: Thermolysin From Bacillus Thermoproteolyticus

All present enzymatic activity of Thermolysin From Bacillus Thermoproteolyticus:
3.4.24.27;

The structure of Thermolysin From Bacillus Thermoproteolyticus, PDB code: 7akn was solved by A.S.Boikova, K.B.Ilina, M.A.Marchenkova, Y.V.Pisarevsky, V.I.Timofeev, M.V.Kovalchuk, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	29.98 / 2.46
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.408, 92.408, 129.330, 90.00, 90.00, 120.00
R / Rfree (%)	15.5 / 22.3

The structure of Thermolysin From Bacillus Thermoproteolyticus also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Zinc atom in the Thermolysin From Bacillus Thermoproteolyticus (pdb code 7akn). This binding sites where shown within 5.0 Angstroms radius around Zinc atom.
In total only one binding site of Zinc was determined in the Thermolysin From Bacillus Thermoproteolyticus, PDB code: 7akn:

Zinc binding site 1 out of 1 in the Thermolysin From Bacillus Thermoproteolyticus


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Thermolysin From Bacillus Thermoproteolyticus within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn405 b:36.5 occ:1.00 NE2 A:HIS146 2.1 35.1 1.0 NE2 A:HIS142 2.1 30.0 1.0 OE2 A:GLU166 2.1 37.5 1.0 O A:HOH583 2.2 25.9 1.0 CD A:GLU166 2.7 42.2 1.0 OE1 A:GLU166 2.7 40.9 1.0 CE1 A:HIS142 3.0 30.0 1.0 CE1 A:HIS146 3.0 33.5 1.0 CD2 A:HIS142 3.1 31.1 1.0 CD2 A:HIS146 3.1 33.0 1.0 OH A:TYR157 3.9 47.2 1.0 NE2 A:HIS231 4.1 46.9 1.0 ND1 A:HIS142 4.1 31.6 1.0 ND1 A:HIS146 4.2 33.3 1.0 CG A:HIS142 4.2 35.5 1.0 CG A:GLU166 4.2 36.3 1.0 CG A:HIS146 4.2 34.7 1.0 CB A:SER169 4.5 34.7 1.0 CA A:VAL406 4.5 49.3 1.0 OE1 A:GLU143 4.5 46.8 1.0 O A:VAL406 4.6 50.0 1.0 OG A:SER169 4.6 31.4 1.0 O A:HOH587 4.6 34.1 1.0 CD2 A:HIS231 4.7 42.1 1.0 C A:VAL406 4.7 48.0 1.0 N A:VAL406 4.8 48.8 1.0 CA A:GLU166 4.8 33.2 1.0 CZ A:TYR157 4.9 42.1 1.0 CE1 A:TYR157 5.0 45.5 1.0

A.S.Boikova, K.B.Ilina, M.A.Marchenkova, Y.V.Pisarevsky, V.I.Timofeev, M.V.Kovalchuk. Thermolysin From Bacillus Thermoproteolyticus To Be Published.