Calcium in PDB 1lnc: A Structural Analysis of Metal Substitutions in Thermolysin

All present enzymatic activity of A Structural Analysis of Metal Substitutions in Thermolysin:
3.4.24.27;

The structure of A Structural Analysis of Metal Substitutions in Thermolysin, PDB code: 1lnc was solved by D.R.Holland, A.C.Hausrath, D.Juers, B.W.Matthews, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	20.00 / 1.80
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	93.900, 93.900, 131.200, 90.00, 90.00, 120.00
R / Rfree (%)	n/a / n/a

The structure of A Structural Analysis of Metal Substitutions in Thermolysin also contains other interesting chemical elements:

Manganese

(Mn)

3 atoms

The binding sites of Calcium atom in the A Structural Analysis of Metal Substitutions in Thermolysin (pdb code 1lnc). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the A Structural Analysis of Metal Substitutions in Thermolysin, PDB code: 1lnc:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the A Structural Analysis of Metal Substitutions in Thermolysin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of A Structural Analysis of Metal Substitutions in Thermolysin within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca901 b:13.1 occ:1.00 O E:GLU187 2.2 11.8 1.0 OD2 E:ASP138 2.3 16.5 1.0 OD1 E:ASP185 2.4 12.8 1.0 OE1 E:GLU190 2.4 12.9 1.0 OE1 E:GLU177 2.5 16.4 1.0 O E:HOH926 2.5 13.1 1.0 OE2 E:GLU190 2.5 17.1 1.0 CD E:GLU190 2.8 17.1 1.0 OE2 E:GLU177 2.8 15.7 1.0 CD E:GLU177 2.9 18.8 1.0 CG E:ASP138 3.3 19.4 1.0 C E:GLU187 3.3 19.5 1.0 CG E:ASP185 3.4 16.2 1.0 MN E:MN902 3.6 14.8 1.0 OD2 E:ASP185 3.6 16.5 1.0 CB E:ASP138 4.0 7.0 1.0 N E:GLU187 4.2 18.1 1.0 N E:ILE188 4.2 11.7 1.0 O E:ASP185 4.2 22.3 1.0 CA E:GLU187 4.2 19.7 1.0 CG E:GLU190 4.3 12.3 1.0 CA E:ILE188 4.3 11.4 1.0 OD1 E:ASP138 4.3 14.7 1.0 N E:GLY189 4.4 18.2 1.0 O E:HOH982 4.4 66.1 1.0 CG E:GLU177 4.4 11.9 1.0 O E:HOH930 4.5 20.2 1.0 CB E:GLU187 4.5 15.5 1.0 C E:ASP185 4.6 17.1 1.0 CB E:ASP185 4.6 19.1 1.0 O E:HOH905 4.7 15.1 1.0 C E:ILE188 4.7 22.8 1.0 N E:ASP185 4.8 16.1 1.0 N E:GLU190 4.9 12.8 1.0 CB E:GLU177 4.9 10.5 1.0 CA E:ASP185 5.0 11.7 1.0

Calcium binding site 2 out of 2 in the A Structural Analysis of Metal Substitutions in Thermolysin


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of A Structural Analysis of Metal Substitutions in Thermolysin within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca904 b:19.1 occ:1.00 O E:ILE197 2.2 30.1 1.0 OD1 E:ASP200 2.3 18.1 1.0 O E:HOH910 2.3 29.3 1.0 OG1 E:THR194 2.3 18.5 1.0 O E:THR194 2.4 20.2 1.0 O E:TYR193 2.4 15.1 1.0 O E:HOH933 2.5 15.1 1.0 C E:THR194 3.2 29.0 1.0 CG E:ASP200 3.3 19.8 1.0 C E:ILE197 3.4 45.0 1.0 C E:TYR193 3.4 17.5 1.0 CB E:THR194 3.5 25.4 1.0 CA E:THR194 3.7 16.6 1.0 OD2 E:ASP200 3.7 20.0 1.0 N E:THR194 3.9 15.9 1.0 CA E:ILE197 4.1 23.4 1.0 CB E:ILE197 4.1 40.8 1.0 N E:PRO195 4.1 22.5 1.0 N E:ILE197 4.2 49.1 1.0 N E:SER198 4.4 31.9 1.0 O E:ASP200 4.4 20.9 1.0 N E:ASP200 4.5 24.1 1.0 CA E:SER198 4.6 36.0 1.0 CD2 E:TYR193 4.6 19.6 1.0 CA E:PRO195 4.6 26.8 1.0 CA E:TYR193 4.6 17.6 1.0 O E:GLU190 4.6 16.8 1.0 CB E:ASP200 4.6 19.6 1.0 CG2 E:THR194 4.7 17.3 1.0 O E:HOH984 4.7 52.8 1.0 CB E:TYR193 4.7 21.0 1.0 C E:ASP200 4.8 12.7 1.0 C E:PRO195 4.8 45.9 1.0 CG2 E:ILE197 4.9 27.8 1.0 CA E:ASP200 4.9 16.6 1.0 C E:SER198 4.9 37.0 1.0 CG E:TYR193 5.0 21.6 1.0

D.R.Holland, A.C.Hausrath, D.Juers, B.W.Matthews. Structural Analysis of Zinc Substitutions in the Active Site of Thermolysin. Protein Sci. V. 4 1955 1995.
ISSN: ISSN 0961-8368
PubMed: 8535232