Zinc in PDB 1fju: Thermolysin (80% Acetonitrile Soaked Crystals)

All present enzymatic activity of Thermolysin (80% Acetonitrile Soaked Crystals):
3.4.24.27;

The structure of Thermolysin (80% Acetonitrile Soaked Crystals), PDB code: 1fju was solved by A.C.English, C.R.Groom, R.E.Hubbard, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 2.00
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	93.860, 93.860, 131.040, 90.00, 90.00, 120.00
R / Rfree (%)	15.4 / 20.5

The structure of Thermolysin (80% Acetonitrile Soaked Crystals) also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Zinc atom in the Thermolysin (80% Acetonitrile Soaked Crystals) (pdb code 1fju). 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 (80% Acetonitrile Soaked Crystals), PDB code: 1fju:

Zinc binding site 1 out of 1 in the Thermolysin (80% Acetonitrile Soaked Crystals)


Mono view


Stereo pair view

A full contact list of Zinc with other atoms in the Zn binding site number 1 of Thermolysin (80% Acetonitrile Soaked Crystals) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn501 b:22.9 occ:1.00 NE2 A:HIS142 2.1 20.2 1.0 NE2 A:HIS146 2.1 21.4 1.0 O A:HOH508 2.1 33.9 1.0 OE2 A:GLU166 2.3 28.1 1.0 OE1 A:GLU166 2.3 27.4 1.0 CD A:GLU166 2.8 30.0 1.0 CE1 A:HIS146 3.0 17.6 1.0 CE1 A:HIS142 3.0 17.6 1.0 CD2 A:HIS142 3.1 17.6 1.0 CD2 A:HIS146 3.1 21.8 1.0 OE2 A:GLU143 3.5 20.8 0.6 OH A:TYR157 3.8 18.3 0.4 ND1 A:HIS146 4.1 19.5 1.0 ND1 A:HIS142 4.1 18.3 1.0 CG A:HIS142 4.2 17.9 1.0 CG A:HIS146 4.2 17.6 1.0 CG A:GLU166 4.3 17.6 1.0 CD A:GLU143 4.3 23.0 0.6 OE1 A:GLU143 4.4 19.5 0.6 NE2 A:HIS231 4.4 28.7 1.0 CB A:SER169 4.4 14.3 1.0 OE1 A:GLU143 4.5 27.7 0.4 CA A:GLU166 4.6 18.0 1.0 OG A:SER169 4.7 18.8 1.0 O A:HOH590 4.8 37.0 1.0 OE2 A:GLU143 4.8 30.7 0.4 CZ A:TYR157 4.9 20.1 0.4 CB A:GLU166 4.9 17.9 1.0 O A:HOH663 4.9 47.2 1.0 CD A:GLU143 4.9 25.6 0.4 CD2 A:HIS231 5.0 34.8 1.0

A.C.English, C.R.Groom, R.E.Hubbard. Experimental and Computational Mapping of the Binding Surface of A Crystalline Protein. Protein Eng. V. 14 47 2001.
ISSN: ISSN 0269-2139
PubMed: 11287678
DOI: 10.1093/PROTEIN/14.1.47