Zinc in PDB 6sc0: Thermolysin in Complex with Fragment J22

All present enzymatic activity of Thermolysin in Complex with Fragment J22:
3.4.24.27;

The structure of Thermolysin in Complex with Fragment J22, PDB code: 6sc0 was solved by F.Magari, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.29 / 1.53
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.572, 92.572, 129.113, 90.00, 90.00, 120.00
R / Rfree (%)	14.5 / 16.6

The structure of Thermolysin in Complex with Fragment J22 also contains other interesting chemical elements:

Fluorine	(F)	3 atoms
Calcium	(Ca)	4 atoms

The binding sites of Zinc atom in the Thermolysin in Complex with Fragment J22 (pdb code 6sc0). 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 in Complex with Fragment J22, PDB code: 6sc0:

Zinc binding site 1 out of 1 in the Thermolysin in Complex with Fragment J22


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Thermolysin in Complex with Fragment J22 within 5.0Å range: probe atom residue distance (Å) B Occ E:Zn405 b:14.7 occ:1.00 OE1 E:GLU166 1.9 15.8 1.0 NE2 E:HIS142 2.0 15.7 1.0 NE2 E:HIS146 2.0 14.4 1.0 O1 E:BCT410 2.1 15.1 0.8 C E:BCT410 2.6 17.2 0.8 O2 E:BCT410 2.7 16.9 0.8 CD E:GLU166 2.8 14.3 1.0 CE1 E:HIS146 3.0 16.3 1.0 CD2 E:HIS142 3.0 12.1 1.0 CE1 E:HIS142 3.0 14.9 1.0 OE2 E:GLU166 3.0 13.7 1.0 CD2 E:HIS146 3.1 14.9 1.0 HE1 E:HIS146 3.1 19.6 1.0 HH E:TYR157 3.1 22.6 1.0 HD2 E:HIS142 3.1 14.5 1.0 HE1 E:HIS142 3.2 17.9 1.0 HD2 E:HIS146 3.3 17.9 1.0 HE2 E:HIS231 3.5 18.9 1.0 OH E:TYR157 3.8 18.9 1.0 HA E:GLU166 4.0 16.0 1.0 O3 E:BCT410 4.1 21.6 0.8 ND1 E:HIS146 4.1 15.9 1.0 ND1 E:HIS142 4.1 12.9 1.0 CG E:HIS142 4.1 13.3 1.0 HB2 E:SER169 4.1 15.4 1.0 CG E:HIS146 4.2 13.2 1.0 NE2 E:HIS231 4.2 15.7 1.0 CG E:GLU166 4.2 13.3 1.0 HB3 E:SER169 4.3 15.4 1.0 HG2 E:GLU166 4.4 16.0 1.0 HE1 E:TYR157 4.4 21.9 1.0 HD2 E:HIS231 4.5 19.1 1.0 O E:HOH671 4.5 18.8 1.0 CB E:SER169 4.6 12.8 1.0 C5 E:L5Q409 4.7 31.5 1.0 O1 E:L5Q409 4.7 23.7 1.0 CD2 E:HIS231 4.7 15.9 1.0 OE2 E:GLU143 4.7 21.2 1.0 HG3 E:GLU166 4.8 16.0 1.0 OG E:SER169 4.8 14.5 1.0 CZ E:TYR157 4.8 18.7 1.0 OE1 E:GLU143 4.8 19.1 1.0 HD1 E:HIS146 4.9 19.1 1.0 HD1 E:HIS142 4.9 15.5 1.0 HH22 E:ARG203 4.9 19.2 1.0 CA E:GLU166 4.9 13.3 1.0 CE1 E:TYR157 4.9 18.2 1.0

F.Magari, A.Heine, G.Klebe. Thermolysin in Complex with Fragment J22 To Be Published.