Calcium in PDB 1lnb: 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: 1lnb 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 (°)	93.600, 93.600, 131.600, 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:

Iron

(Fe)

1 atom

The binding sites of Calcium atom in the A Structural Analysis of Metal Substitutions in Thermolysin (pdb code 1lnb). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the A Structural Analysis of Metal Substitutions in Thermolysin, PDB code: 1lnb:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 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:15.0 occ:1.00 O E:GLU187 2.2 14.4 1.0 OD2 E:ASP138 2.3 20.6 1.0 OD1 E:ASP185 2.4 14.4 1.0 OE1 E:GLU190 2.4 15.6 1.0 OE1 E:GLU177 2.5 16.6 1.0 OE2 E:GLU190 2.5 15.8 1.0 O E:HOH1342 2.5 13.8 1.0 CD E:GLU190 2.8 17.6 1.0 OE2 E:GLU177 2.8 17.6 1.0 CD E:GLU177 2.9 22.0 1.0 CG E:ASP138 3.3 18.1 1.0 C E:GLU187 3.3 21.7 1.0 CG E:ASP185 3.4 20.1 1.0 OD2 E:ASP185 3.7 20.9 1.0 CA E:CA902 3.7 14.7 1.0 CB E:ASP138 4.0 10.6 1.0 O E:HOH1399 4.1 66.9 1.0 N E:GLU187 4.1 19.7 1.0 O E:ASP185 4.2 20.3 1.0 CA E:GLU187 4.2 25.4 1.0 N E:ILE188 4.2 15.1 1.0 OD1 E:ASP138 4.2 17.6 1.0 CG E:GLU190 4.3 15.5 1.0 CA E:ILE188 4.3 15.5 1.0 CG E:GLU177 4.4 12.3 1.0 N E:GLY189 4.4 22.1 1.0 CB E:GLU187 4.5 20.2 1.0 O E:HOH1346 4.5 21.3 1.0 C E:ASP185 4.6 17.9 1.0 CB E:ASP185 4.7 24.1 1.0 O E:HOH1323 4.7 21.4 1.0 N E:ASP185 4.7 19.5 1.0 C E:ILE188 4.7 34.9 1.0 N E:GLU190 4.9 15.1 1.0 CB E:GLU177 4.9 12.3 1.0 CA E:ASP185 5.0 17.0 1.0

Calcium binding site 2 out of 4 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:Ca902 b:14.7 occ:1.00 OE2 E:GLU190 2.1 15.8 1.0 O E:HOH1324 2.2 22.4 1.0 OD2 E:ASP185 2.2 20.9 1.0 OE2 E:GLU177 2.2 17.6 1.0 O E:HOH1323 2.2 21.4 1.0 O E:ASN183 2.4 22.1 1.0 CG E:ASP185 3.1 20.1 1.0 CD E:GLU177 3.2 22.0 1.0 CD E:GLU190 3.2 17.6 1.0 C E:ASN183 3.6 19.3 1.0 OD1 E:ASP185 3.6 14.4 1.0 CG E:GLU190 3.7 15.5 1.0 CA E:CA901 3.7 15.0 1.0 OE1 E:GLU177 3.7 16.6 1.0 O E:LYS182 3.9 24.9 1.0 N E:ASP185 4.1 19.5 1.0 CA E:PRO184 4.1 19.8 1.0 CG E:GLU177 4.2 12.3 1.0 OD2 E:ASP191 4.2 19.6 1.0 C E:PRO184 4.2 31.5 1.0 OE1 E:GLU190 4.2 15.6 1.0 CB E:ASN183 4.3 26.2 1.0 OD1 E:ASP191 4.3 20.9 1.0 N E:PRO184 4.3 25.3 1.0 CB E:ASP185 4.4 24.1 1.0 CG E:ASP191 4.6 26.7 1.0 CA E:ASN183 4.6 24.3 1.0 O E:HOH1399 4.7 66.9 1.0 CA E:ASP185 4.8 17.0 1.0 O E:PRO184 4.9 23.4 1.0

Calcium binding site 3 out of 4 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 3 of A Structural Analysis of Metal Substitutions in Thermolysin within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca903 b:14.7 occ:1.00 O E:HOH1325 2.3 22.1 1.0 O E:GLN61 2.3 13.7 1.0 O E:HOH1327 2.3 15.9 1.0 OD1 E:ASP59 2.4 18.9 1.0 OD1 E:ASP57 2.4 17.3 1.0 O E:HOH1328 2.5 14.4 1.0 OD2 E:ASP57 2.5 15.8 1.0 CG E:ASP57 2.8 12.4 1.0 CG E:ASP59 3.3 21.2 1.0 C E:GLN61 3.5 25.2 1.0 OD2 E:ASP59 3.7 21.8 1.0 O E:HOH1407 3.9 33.5 1.0 N E:GLN61 4.0 13.5 1.0 CA E:GLN61 4.2 11.8 1.0 N E:ASP59 4.2 14.3 1.0 CB E:ASP57 4.3 10.4 1.0 CB E:GLN61 4.4 11.4 1.0 O E:HOH1462 4.4 54.8 1.0 O E:HOH1418 4.5 16.9 1.0 N E:PHE62 4.5 16.2 1.0 O E:HOH1351 4.6 16.4 1.0 OD2 E:ASP67 4.6 14.3 1.0 CB E:ASP59 4.6 12.0 1.0 N E:ALA58 4.6 13.4 1.0 CA E:PHE62 4.6 14.3 1.0 N E:ASN60 4.7 15.5 1.0 O E:HOH1477 4.7 54.8 1.0 CA E:ASP59 4.8 10.8 1.0 C E:ASP59 4.9 16.7 1.0

Calcium binding site 4 out of 4 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 4 of A Structural Analysis of Metal Substitutions in Thermolysin within 5.0Å range: probe atom residue distance (Å) B Occ E:Ca904 b:21.4 occ:1.00 O E:ILE197 2.2 33.7 1.0 OD1 E:ASP200 2.3 20.4 1.0 O E:HOH1326 2.3 28.7 1.0 OG1 E:THR194 2.3 20.1 1.0 O E:THR194 2.4 18.6 1.0 O E:TYR193 2.4 17.1 1.0 O E:HOH1349 2.5 17.8 1.0 C E:THR194 3.1 31.4 1.0 CG E:ASP200 3.3 20.2 1.0 C E:ILE197 3.4 48.9 1.0 C E:TYR193 3.4 19.8 1.0 CB E:THR194 3.4 25.3 1.0 CA E:THR194 3.6 18.3 1.0 OD2 E:ASP200 3.7 22.2 1.0 N E:THR194 3.9 21.6 1.0 CA E:ILE197 4.1 29.1 1.0 N E:PRO195 4.1 25.3 1.0 CB E:ILE197 4.1 46.0 1.0 N E:ILE197 4.2 37.5 1.0 O E:ASP200 4.3 22.3 1.0 N E:SER198 4.4 37.0 1.0 N E:ASP200 4.5 24.1 1.0 CD2 E:TYR193 4.5 22.1 1.0 CA E:SER198 4.6 31.3 1.0 CA E:TYR193 4.6 17.6 1.0 O E:GLU190 4.6 20.4 1.0 CB E:ASP200 4.6 22.1 1.0 CA E:PRO195 4.6 24.5 1.0 CG2 E:THR194 4.7 18.3 1.0 O E:HOH1401 4.7 46.6 1.0 C E:ASP200 4.7 17.7 1.0 CB E:TYR193 4.7 30.9 1.0 C E:PRO195 4.8 52.9 1.0 CA E:ASP200 4.9 22.2 1.0 C E:SER198 4.9 38.2 1.0 CG2 E:ILE197 4.9 28.4 1.0 CG E:TYR193 5.0 28.4 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