Zinc in PDB 4tli: Thermolysin (25% Isopropanol Soaked Crystals)

All present enzymatic activity of Thermolysin (25% Isopropanol Soaked Crystals):
3.4.24.27;

The structure of Thermolysin (25% Isopropanol Soaked Crystals), PDB code: 4tli was solved by A.C.English, S.H.Done, 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)	30.00 / 1.95
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	94.140, 94.140, 130.800, 90.00, 90.00, 120.00
R / Rfree (%)	16.4 / 20.6

The structure of Thermolysin (25% Isopropanol Soaked Crystals) also contains other interesting chemical elements:

Calcium

(Ca)

4 atoms

The binding sites of Zinc atom in the Thermolysin (25% Isopropanol Soaked Crystals) (pdb code 4tli). 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 (25% Isopropanol Soaked Crystals), PDB code: 4tli:

Zinc binding site 1 out of 1 in the Thermolysin (25% Isopropanol 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 (25% Isopropanol Soaked Crystals) within 5.0Å range: probe atom residue distance (Å) B Occ A:Zn401 b:23.9 occ:1.00 O A:HOH1002 1.8 33.1 1.0 NE2 A:HIS146 2.0 21.0 1.0 NE2 A:HIS142 2.1 22.4 1.0 OE2 A:GLU166 2.2 28.6 1.0 OE1 A:GLU166 2.3 30.8 1.0 CD A:GLU166 2.8 28.6 1.0 CE1 A:HIS146 3.0 21.7 1.0 CE1 A:HIS142 3.0 19.0 1.0 CD2 A:HIS146 3.1 20.0 1.0 CD2 A:HIS142 3.1 20.4 1.0 O A:HOH1001 3.2 51.6 1.0 OE2 A:GLU143 3.7 25.3 1.0 OH A:TYR157 4.0 34.1 0.4 ND1 A:HIS146 4.1 22.5 1.0 CG A:HIS146 4.2 19.5 1.0 ND1 A:HIS142 4.2 19.5 1.0 O A:HOH1067 4.2 43.7 1.0 CG A:HIS142 4.2 18.7 1.0 CG A:GLU166 4.3 20.0 1.0 CB A:SER169 4.3 18.4 1.0 CD A:GLU143 4.5 24.2 1.0 O2 A:IPA2002 4.5 58.8 1.0 OE1 A:GLU143 4.5 22.4 1.0 CA A:GLU166 4.6 20.5 1.0 OG A:SER169 4.6 19.4 1.0 O A:HOH1087 4.7 47.9 1.0 CB A:GLU166 4.8 21.1 1.0 NE2 A:HIS231 4.9 27.8 1.0

A.C.English, S.H.Done, L.S.Caves, C.R.Groom, R.E.Hubbard. Locating Interaction Sites on Proteins: the Crystal Structure of Thermolysin Soaked in 2% to 100% Isopropanol. Proteins V. 37 628 1999.
ISSN: ISSN 0887-3585
PubMed: 10651278
DOI: 10.1002/(SICI)1097-0134(19991201)37:4<628::AID-PROT13>3.3.CO;2-7