Calcium in PDB 6qar: Thermolysine Under 2 Kbar of Argon

All present enzymatic activity of Thermolysine Under 2 Kbar of Argon:
3.4.24.27;

The structure of Thermolysine Under 2 Kbar of Argon, PDB code: 6qar was solved by T.Prange, P.Carpentier, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	43.65 / 1.85
Space group	P 61 2 2
Cell size a, b, c (Å), α, β, γ (°)	92.669, 92.669, 129.203, 90.00, 90.00, 120.00
R / Rfree (%)	15.9 / 19.6

The structure of Thermolysine Under 2 Kbar of Argon also contains other interesting chemical elements:

Zinc	(Zn)	1 atom
Argon	(Ar)	20 atoms
Chlorine	(Cl)	9 atoms

The binding sites of Calcium atom in the Thermolysine Under 2 Kbar of Argon (pdb code 6qar). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 4 binding sites of Calcium where determined in the Thermolysine Under 2 Kbar of Argon, PDB code: 6qar:
Jump to Calcium binding site number: 1; 2; 3; 4;

Calcium binding site 1 out of 4 in the Thermolysine Under 2 Kbar of Argon


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Thermolysine Under 2 Kbar of Argon within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca503 b:21.4 occ:1.00 O A:GLU187 2.3 19.6 1.0 O A:HOH1161 2.3 21.8 1.0 OD1 A:ASP185 2.4 19.2 1.0 OE2 A:GLU190 2.4 24.1 1.0 OD2 A:ASP138 2.5 20.7 1.0 OE1 A:GLU190 2.5 24.6 1.0 OE1 A:GLU177 2.5 20.4 1.0 OE2 A:GLU177 2.8 24.5 1.0 CD A:GLU190 2.8 23.9 1.0 CD A:GLU177 3.0 23.2 1.0 C A:GLU187 3.4 20.7 1.0 CG A:ASP185 3.4 26.9 1.0 CG A:ASP138 3.5 19.9 1.0 CA A:CA504 3.8 28.0 1.0 OD2 A:ASP185 3.8 25.5 1.0 CB A:ASP138 4.0 17.4 1.0 O A:ASP185 4.1 22.1 1.0 N A:GLU187 4.2 22.6 1.0 N A:ILE188 4.2 19.8 1.0 CA A:GLU187 4.3 20.8 1.0 CA A:ILE188 4.3 21.1 1.0 CG A:GLU190 4.3 19.6 1.0 O A:HOH1153 4.3 31.5 1.0 OD1 A:ASP138 4.4 22.0 1.0 N A:GLY189 4.4 21.4 1.0 CG A:GLU177 4.4 19.6 1.0 O A:HOH1172 4.5 23.1 1.0 CB A:GLU187 4.6 24.4 1.0 C A:ASP185 4.6 26.4 1.0 N A:ASP185 4.7 21.4 1.0 CB A:ASP185 4.7 22.5 1.0 C A:ILE188 4.8 22.8 1.0 O A:HOH1116 4.8 27.0 1.0 CA A:ASP185 4.9 22.9 1.0 CB A:GLU177 4.9 20.1 1.0 N A:GLU190 5.0 21.7 1.0

Calcium binding site 2 out of 4 in the Thermolysine Under 2 Kbar of Argon


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Thermolysine Under 2 Kbar of Argon within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca504 b:28.0 occ:1.00 O A:ASN183 2.2 26.6 1.0 O A:HOH1179 2.2 28.0 1.0 OE2 A:GLU190 2.4 24.1 1.0 OE2 A:GLU177 2.4 24.5 1.0 O A:HOH1116 2.4 27.0 1.0 OD2 A:ASP185 2.5 25.5 1.0 CD A:GLU177 3.2 23.2 1.0 CG A:ASP185 3.3 26.9 1.0 CD A:GLU190 3.3 23.9 1.0 C A:ASN183 3.4 26.4 1.0 OD1 A:ASP185 3.7 19.2 1.0 OE1 A:GLU177 3.7 20.4 1.0 CA A:CA503 3.8 21.4 1.0 CG A:GLU190 3.8 19.6 1.0 CA A:PRO184 4.0 23.5 1.0 N A:ASP185 4.1 21.4 1.0 CB A:ASN183 4.2 35.2 1.0 N A:PRO184 4.2 26.1 1.0 C A:PRO184 4.2 28.3 1.0 O A:LYS182 4.2 36.7 1.0 OD1 A:ASP191 4.2 25.6 1.0 CG A:GLU177 4.2 19.6 1.0 OD2 A:ASP191 4.3 24.6 1.0 OE1 A:GLU190 4.3 24.6 1.0 CB A:ASP185 4.4 22.5 1.0 CA A:ASN183 4.4 33.5 1.0 O A:HOH1153 4.5 31.5 1.0 CG A:ASP191 4.6 24.4 1.0 CA A:ASP185 4.9 22.9 1.0 O A:HOH1298 4.9 51.6 1.0 O A:HOH1183 4.9 37.4 1.0 O A:PRO184 4.9 25.6 1.0

Calcium binding site 3 out of 4 in the Thermolysine Under 2 Kbar of Argon


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Thermolysine Under 2 Kbar of Argon within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca505 b:19.2 occ:1.00 O A:GLN61 2.2 19.3 1.0 O A:HOH1266 2.3 26.8 1.0 OD1 A:ASP59 2.4 22.2 1.0 O A:HOH1166 2.4 21.3 1.0 O A:HOH1142 2.4 21.2 1.0 OD1 A:ASP57 2.4 22.1 1.0 OD2 A:ASP57 2.6 19.3 1.0 CG A:ASP57 2.8 22.6 1.0 CG A:ASP59 3.4 21.3 1.0 C A:GLN61 3.4 15.4 1.0 OD2 A:ASP59 3.8 24.1 1.0 N A:GLN61 3.9 19.9 1.0 O A:HOH1197 4.1 22.2 1.0 CA A:GLN61 4.1 21.2 1.0 N A:ASP59 4.3 18.8 1.0 CB A:ASP57 4.3 19.1 1.0 CB A:GLN61 4.3 23.4 1.0 N A:PHE62 4.5 17.6 1.0 OD2 A:ASP67 4.5 20.5 1.0 CB A:ASP59 4.6 22.0 1.0 N A:ASN60 4.6 18.6 1.0 O A:HOH1118 4.7 20.1 1.0 CA A:PHE62 4.7 17.1 1.0 AR A:AR511 4.7 35.7 1.0 N A:ALA58 4.7 16.6 1.0 O A:HOH1308 4.8 34.9 1.0 CA A:ASP59 4.8 19.4 1.0 C A:ASP59 4.9 21.7 1.0

Calcium binding site 4 out of 4 in the Thermolysine Under 2 Kbar of Argon


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 4 of Thermolysine Under 2 Kbar of Argon within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca506 b:24.1 occ:1.00 O A:THR194 2.3 30.0 1.0 OG1 A:THR194 2.3 23.6 1.0 O A:TYR193 2.3 20.2 1.0 O A:ILE197 2.3 25.4 1.0 OD1 A:ASP200 2.4 24.9 1.0 O A:HOH1145 2.4 25.5 1.0 O A:HOH1236 2.4 30.6 1.0 C A:THR194 3.2 25.9 1.0 C A:TYR193 3.3 22.8 1.0 CG A:ASP200 3.4 19.9 1.0 CB A:THR194 3.4 23.6 1.0 C A:ILE197 3.5 36.8 1.0 CA A:THR194 3.7 23.8 1.0 OD2 A:ASP200 3.8 23.7 1.0 N A:THR194 3.9 22.6 1.0 CA A:ILE197 4.2 33.9 1.0 N A:ILE197 4.2 35.9 1.0 N A:PRO195 4.3 25.1 1.0 CB A:ILE197 4.3 35.4 1.0 O A:ASP200 4.4 22.9 1.0 CA A:TYR193 4.5 20.9 1.0 O A:HOH1218 4.5 38.2 1.0 N A:SER198 4.6 30.6 1.0 O A:GLU190 4.6 20.0 1.0 N A:ASP200 4.6 25.9 1.0 CA A:SER198 4.6 33.1 1.0 CA A:PRO195 4.7 29.7 1.0 CB A:TYR193 4.7 24.0 1.0 CG2 A:THR194 4.7 25.6 1.0 CD2 A:TYR193 4.7 28.4 1.0 CB A:ASP200 4.7 22.2 1.0 AR A:AR513 4.7 32.6 0.9 C A:ASP200 4.8 21.2 1.0 CG2 A:ILE197 4.9 34.4 1.0 N A:TYR193 4.9 20.2 1.0 C A:SER198 4.9 36.8 1.0 CA A:ASP200 4.9 23.2 1.0 C A:PRO195 5.0 28.3 1.0

T.Prange, P.Carpentier. Labelling Protein Crystals By Argon at 2 Kbar To Be Published.