Zinc in PDB 3ls7: Crystal Structure of Thermolysin in Complex with Xenon

All present enzymatic activity of Crystal Structure of Thermolysin in Complex with Xenon:
3.4.24.27;

The structure of Crystal Structure of Thermolysin in Complex with Xenon, PDB code: 3ls7 was solved by J.Behnen, G.Klebe, A.Heine, B.Brumshtein, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.98
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	93.100, 93.100, 130.200, 90.00, 90.00, 120.00
R / Rfree (%)	17.6 / 23.4

The structure of Crystal Structure of Thermolysin in Complex with Xenon also contains other interesting chemical elements:

Xenon	(Xe)	1 atom
Calcium	(Ca)	4 atoms

The binding sites of Zinc atom in the Crystal Structure of Thermolysin in Complex with Xenon (pdb code 3ls7). 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 Crystal Structure of Thermolysin in Complex with Xenon, PDB code: 3ls7:

Zinc binding site 1 out of 1 in the Crystal Structure of Thermolysin in Complex with Xenon


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 Thermolysin in Complex with Xenon within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn701 b:20.1 occ:1.00 NE2 A:HIS142 1.9 15.0 1.0 NE2 A:HIS146 2.0 14.2 1.0 OE2 A:GLU166 2.1 17.5 1.0 O A:HOH1194 2.4 47.0 1.0 CD A:GLU166 2.8 17.7 1.0 CD2 A:HIS142 2.8 17.8 1.0 OE1 A:GLU166 2.9 22.2 1.0 CE1 A:HIS146 2.9 13.9 1.0 CE1 A:HIS142 3.0 20.3 1.0 CD2 A:HIS146 3.1 15.6 1.0 OH A:TYR157 3.8 19.9 1.0 CG A:HIS142 4.0 14.5 1.0 ND1 A:HIS142 4.0 19.4 1.0 ND1 A:HIS146 4.1 13.7 1.0 NE2 A:HIS231 4.2 15.4 1.0 CG A:HIS146 4.2 11.7 1.0 CG A:GLU166 4.2 14.3 1.0 OE1 A:GLU143 4.3 17.7 1.0 OE2 A:GLU143 4.3 34.9 1.0 CA A:VAL801 4.5 18.0 0.8 CB A:SER169 4.6 18.7 1.0 CD A:GLU143 4.6 19.5 1.0 CD2 A:HIS231 4.7 20.0 1.0 C A:VAL801 4.7 23.9 0.8 N A:VAL801 4.7 19.0 0.8 O A:HOH1213 4.7 28.7 1.0 OG A:SER169 4.7 17.0 1.0 CZ A:TYR157 4.8 23.5 1.0 O A:VAL801 4.8 19.3 0.8 CA A:GLU166 4.9 18.7 1.0 CE1 A:TYR157 5.0 27.7 1.0

J.Behnen, H.Krueger, L.Toker, B.Brumshtein, I.Silman, J.L.Sussman, G.Klebe, A.Heine. Old Acquantance Rediscovered, Use of Xenon/Protein Complexes As A Generic Tool For Sad Phasing of in House Data To Be Published.