Calcium in PDB 8guv: Leca From Pseudomonas Aeruginosa in Complex with Tolcapone (Cas: 134308-13-7)

The structure of Leca From Pseudomonas Aeruginosa in Complex with Tolcapone (Cas: 134308-13-7), PDB code: 8guv was solved by S.Kuhaudomlarp, E.Siebs, A.Varrot, A.Imberty, A.Titz, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	42.84 / 1.32
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	57.65, 164.626, 50.105, 90, 90, 90
R / Rfree (%)	19.9 / 22.2

The binding sites of Calcium atom in the Leca From Pseudomonas Aeruginosa in Complex with Tolcapone (Cas: 134308-13-7) (pdb code 8guv). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 2 binding sites of Calcium where determined in the Leca From Pseudomonas Aeruginosa in Complex with Tolcapone (Cas: 134308-13-7), PDB code: 8guv:
Jump to Calcium binding site number: 1; 2;

Calcium binding site 1 out of 2 in the Leca From Pseudomonas Aeruginosa in Complex with Tolcapone (Cas: 134308-13-7)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Leca From Pseudomonas Aeruginosa in Complex with Tolcapone (Cas: 134308-13-7) within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca301 b:18.1 occ:1.00 O A:THR104 2.3 17.4 1.0 O A:TYR36 2.4 17.3 1.0 OD1 A:ASN108 2.4 15.8 1.0 OD1 A:ASN107 2.4 18.1 1.0 O7 A:TCW302 2.4 22.7 1.0 O8 A:TCW302 2.4 21.1 1.0 OD2 A:ASP100 2.4 16.9 1.0 C2 A:TCW302 3.3 22.9 1.0 C1 A:TCW302 3.3 23.8 1.0 C A:TYR36 3.4 17.2 1.0 CG A:ASP100 3.4 18.3 1.0 C A:THR104 3.4 17.8 1.0 CG A:ASN107 3.5 19.2 1.0 CG A:ASN108 3.5 15.4 1.0 OG1 A:THR104 3.5 21.0 1.0 OD1 A:ASP100 3.8 18.9 1.0 ND2 A:ASN107 3.8 19.8 1.0 CB A:THR104 3.9 19.8 1.0 ND2 A:ASN108 3.9 15.0 1.0 CA A:TYR36 3.9 16.8 1.0 CB A:TYR36 4.1 17.0 1.0 CA A:THR104 4.3 19.6 1.0 N A:TYR105 4.4 18.4 1.0 CA A:TYR105 4.4 17.7 1.0 N A:GLY37 4.5 16.4 1.0 C3 A:TCW302 4.6 25.4 1.0 N A:ASN108 4.6 17.1 1.0 C6 A:TCW302 4.7 25.8 1.0 CA A:GLY37 4.8 17.3 1.0 CB A:ASP100 4.8 16.7 1.0 CB A:ASN108 4.8 15.6 1.0 C A:ASN107 4.8 17.6 1.0 C A:TYR105 4.8 17.1 1.0 CB A:ASN107 4.8 17.9 1.0 N A:ASN107 4.9 17.7 1.0 CA A:ASN108 4.9 16.7 1.0

Calcium binding site 2 out of 2 in the Leca From Pseudomonas Aeruginosa in Complex with Tolcapone (Cas: 134308-13-7)


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Leca From Pseudomonas Aeruginosa in Complex with Tolcapone (Cas: 134308-13-7) within 5.0Å range: probe atom residue distance (Å) B Occ B:Ca301 b:10.8 occ:1.00 O B:THR104 2.3 11.9 1.0 O B:TYR36 2.3 11.6 1.0 OD1 B:ASN107 2.4 11.2 1.0 O7 B:TCW302 2.4 12.8 1.0 O8 B:TCW302 2.4 13.4 1.0 OD1 B:ASN108 2.4 10.0 1.0 OD2 B:ASP100 2.5 10.3 1.0 C1 B:TCW302 3.3 14.7 1.0 C2 B:TCW302 3.3 13.5 1.0 C B:TYR36 3.3 11.7 1.0 CG B:ASN107 3.4 11.8 1.0 C B:THR104 3.4 11.3 1.0 OG1 B:THR104 3.5 12.3 1.0 CG B:ASN108 3.5 9.9 1.0 CG B:ASP100 3.5 9.8 1.0 CB B:THR104 3.8 12.4 1.0 ND2 B:ASN107 3.8 13.6 1.0 OD1 B:ASP100 3.9 9.9 1.0 CA B:TYR36 3.9 11.1 1.0 ND2 B:ASN108 4.0 10.0 1.0 CB B:TYR36 4.1 11.6 1.0 CA B:THR104 4.2 12.3 1.0 O B:HOH468 4.3 18.3 1.0 N B:GLY37 4.4 11.6 1.0 N B:TYR105 4.4 10.6 1.0 CA B:TYR105 4.5 10.8 1.0 N B:ASN108 4.6 10.3 1.0 C3 B:TCW302 4.6 14.7 1.0 C6 B:TCW302 4.6 16.1 1.0 CA B:GLY37 4.7 12.6 1.0 C B:ASN107 4.8 10.6 1.0 CB B:ASN108 4.8 10.0 1.0 CB B:ASN107 4.8 11.5 1.0 N B:ASN107 4.8 10.8 1.0 C B:TYR105 4.8 11.0 1.0 CB B:ASP100 4.9 10.0 1.0 CA B:ASN108 4.9 10.3 1.0

E.Siebs, S.Kuhaudomlarp, E.Shanina, A.Varrot, P.Da Silva Fiqueiredo Celestino Gomes, C.Lerner, U.Grether, C.Rademacher, D.Rognan, A.Imberty, A.Titz. Leca From Pseudomonas Aeruginosa in Complex with Tolcapone (Cas: 134308-13-7) To Be Published.