Copper in PDB 3eim: Metal Exchange in Thermolysin

All present enzymatic activity of Metal Exchange in Thermolysin:
3.4.24.27;

The structure of Metal Exchange in Thermolysin, PDB code: 3eim was solved by L.Englert, A.Heine, G.Klebe, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	10.00 / 1.88
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.710, 92.710, 128.650, 90.00, 90.00, 120.00
R / Rfree (%)	18.6 / 25.2

The structure of Metal Exchange in Thermolysin also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Copper atom in the Metal Exchange in Thermolysin (pdb code 3eim). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total only one binding site of Copper was determined in the Metal Exchange in Thermolysin, PDB code: 3eim:

Copper binding site 1 out of 1 in the Metal Exchange in Thermolysin


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of Metal Exchange in Thermolysin within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu2000 b:15.4 occ:0.69 OE2 A:GLU166 2.0 17.6 1.0 NE2 A:HIS142 2.0 16.8 1.0 NE2 A:HIS146 2.1 21.5 1.0 O A:HOH2102 2.2 28.6 1.0 O A:HOH2192 2.5 32.9 1.0 CD A:GLU166 2.9 23.2 1.0 CD2 A:HIS142 3.0 12.6 1.0 CE1 A:HIS146 3.0 16.6 1.0 CE1 A:HIS142 3.1 15.3 1.0 CD2 A:HIS146 3.1 17.7 1.0 OE1 A:GLU166 3.1 21.6 1.0 OH A:TYR157 3.9 23.8 1.0 ND1 A:HIS146 4.1 19.9 1.0 O A:HOH2208 4.1 42.5 1.0 ND1 A:HIS142 4.1 17.2 1.0 CG A:HIS142 4.1 12.7 1.0 NE2 A:HIS231 4.2 29.6 1.0 CG A:HIS146 4.2 19.6 1.0 CG A:GLU166 4.3 19.2 1.0 OE1 A:GLU143 4.3 25.4 1.0 CB A:SER169 4.7 16.0 1.0 CD2 A:HIS231 4.8 21.4 1.0 OE2 A:GLU143 4.8 47.6 1.0 OG A:SER169 4.9 19.2 1.0 CD A:GLU143 4.9 18.9 1.0 CZ A:TYR157 4.9 28.4 1.0 CA A:GLU166 5.0 14.4 1.0

L.Englert, A.Heine, G.Klebe. Metal Exchange in Thermolysin To Be Published.