Zinc in PDB 3t8h: Thermolysin in Complex with UBTLN29

All present enzymatic activity of Thermolysin in Complex with UBTLN29:
3.4.24.27;

The structure of Thermolysin in Complex with UBTLN29, PDB code: 3t8h was solved by A.Biela, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	40.18 / 1.45
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.800, 92.800, 130.100, 90.00, 90.00, 120.00
R / Rfree (%)	12.3 / 15.3

The structure of Thermolysin in Complex with UBTLN29 also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Zinc atom in the Thermolysin in Complex with UBTLN29 (pdb code 3t8h). 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 UBTLN29, PDB code: 3t8h:

Zinc binding site 1 out of 1 in the Thermolysin in Complex with UBTLN29


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 UBTLN29 within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn326 b:7.9 occ:1.00 OE2 A:GLU166 2.0 9.2 1.0 O23 A:UBS317 2.0 7.4 1.0 NE2 A:HIS142 2.0 7.8 1.0 NE2 A:HIS146 2.0 7.9 1.0 CD A:GLU166 2.8 8.9 1.0 CE1 A:HIS146 2.9 8.1 1.0 OE1 A:GLU166 3.0 9.0 1.0 CD2 A:HIS142 3.0 7.4 1.0 P12 A:UBS317 3.0 7.5 1.0 CE1 A:HIS142 3.0 7.9 1.0 O22 A:UBS317 3.1 8.1 1.0 CD2 A:HIS146 3.2 8.0 1.0 OH A:TYR157 3.8 10.0 1.0 NE2 A:HIS231 4.0 8.6 1.0 N13 A:UBS317 4.0 7.5 1.0 ND1 A:HIS146 4.1 7.9 1.0 C14 A:UBS317 4.1 7.6 1.0 ND1 A:HIS142 4.1 7.5 1.0 CG A:HIS142 4.2 7.3 1.0 CG A:HIS146 4.2 7.2 1.0 CG A:GLU166 4.2 8.6 1.0 C11 A:UBS317 4.5 9.6 1.0 CD2 A:HIS231 4.5 8.8 1.0 CB A:SER169 4.6 7.2 1.0 C15 A:UBS317 4.6 9.3 1.0 N10 A:UBS317 4.6 11.9 0.6 C3 A:GOL323 4.6 13.6 1.0 O24 A:UBS317 4.6 9.2 1.0 N10 A:UBS317 4.7 12.8 0.5 OG A:SER169 4.8 7.3 1.0 O3 A:GOL323 4.8 9.9 1.0 CZ A:TYR157 4.8 8.9 1.0 OE1 A:GLU143 4.8 11.8 1.0 CA A:GLU166 4.9 7.5 1.0 CE1 A:TYR157 4.9 8.5 1.0

A.Biela, N.Nasief, A.Heine, D.Hangauer, G.Klebe. Thermolysin Inhibition To Be Published.