Calcium in PDB 2hrg: Crystal Structure of Blue Laccase From Trametes Trogii Complexed with P-Methylbenzoate

All present enzymatic activity of Crystal Structure of Blue Laccase From Trametes Trogii Complexed with P-Methylbenzoate:
1.10.3.2;

The structure of Crystal Structure of Blue Laccase From Trametes Trogii Complexed with P-Methylbenzoate, PDB code: 2hrg was solved by I.Matera, A.Gullotto, M.Ferraroni, S.Tilli, F.Briganti, A.Scozzafava, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	22.33 / 1.58
Space group	P 21 21 21
Cell size a, b, c (Å), α, β, γ (°)	84.385, 85.128, 108.561, 90.00, 90.00, 90.00
R / Rfree (%)	17.4 / 19.2

The structure of Crystal Structure of Blue Laccase From Trametes Trogii Complexed with P-Methylbenzoate also contains other interesting chemical elements:

Copper

(Cu)

4 atoms

The binding sites of Calcium atom in the Crystal Structure of Blue Laccase From Trametes Trogii Complexed with P-Methylbenzoate (pdb code 2hrg). This binding sites where shown within 5.0 Angstroms radius around Calcium atom.
In total 3 binding sites of Calcium where determined in the Crystal Structure of Blue Laccase From Trametes Trogii Complexed with P-Methylbenzoate, PDB code: 2hrg:
Jump to Calcium binding site number: 1; 2; 3;

Calcium binding site 1 out of 3 in the Crystal Structure of Blue Laccase From Trametes Trogii Complexed with P-Methylbenzoate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 1 of Crystal Structure of Blue Laccase From Trametes Trogii Complexed with P-Methylbenzoate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1001 b:0.8 occ:1.00 O A:HOH3396 2.3 52.5 1.0 O A:HOH3533 2.3 49.0 1.0 O A:THR188 2.7 23.2 1.0 O A:HOH3340 2.9 34.2 1.0 OG A:SER143 3.2 20.4 1.0 CG2 A:THR188 3.7 23.1 0.3 CB A:SER143 3.8 17.9 1.0 C A:THR188 3.8 22.9 1.0 O A:HOH3196 4.2 32.2 1.0 O A:HOH3245 4.3 32.7 1.0 N A:THR188 4.3 22.1 1.0 O A:HOH3450 4.4 43.3 1.0 CA A:THR188 4.4 22.9 1.0 CB A:THR188 4.5 22.8 0.3 CB A:THR188 4.5 23.0 0.7 CE2 A:TYR195 4.7 19.0 1.0 O A:SER143 4.7 17.7 1.0 OG1 A:THR188 4.7 23.6 0.3 N A:VAL189 4.9 22.8 1.0

Calcium binding site 2 out of 3 in the Crystal Structure of Blue Laccase From Trametes Trogii Complexed with P-Methylbenzoate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 2 of Crystal Structure of Blue Laccase From Trametes Trogii Complexed with P-Methylbenzoate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1002 b:48.9 occ:1.00 O A:HOH3122 2.2 22.6 1.0 O A:SER224 2.2 14.5 1.0 O A:ALA103 2.3 15.3 1.0 O A:HOH3259 2.3 28.0 1.0 O A:HOH3170 2.7 24.4 1.0 O A:HOH3075 2.8 17.2 1.0 C A:SER224 3.3 13.4 1.0 C A:ALA103 3.4 15.0 1.0 N A:ALA103 3.8 15.6 1.0 N A:VAL225 4.1 12.5 1.0 CA A:VAL225 4.1 12.5 1.0 OD1 A:ASN226 4.1 15.8 1.0 CA A:ALA103 4.1 15.3 1.0 N A:ASN226 4.2 12.8 1.0 CA A:SER224 4.3 13.5 1.0 CG A:ASN226 4.3 13.5 1.0 O A:HOH3057 4.4 16.6 1.0 O A:HOH3078 4.4 20.0 1.0 N A:GLY104 4.4 13.9 1.0 ND2 A:ASN226 4.5 15.2 1.0 C A:VAL225 4.5 12.5 1.0 CB A:ALA103 4.6 15.2 1.0 CB A:SER224 4.6 13.7 0.3 CA A:GLY104 4.6 13.3 1.0 CB A:SER224 4.6 13.9 0.7 O A:HOH3020 4.6 14.7 1.0 OG A:SER224 4.8 12.7 0.3 C A:GLN102 4.9 17.1 1.0

Calcium binding site 3 out of 3 in the Crystal Structure of Blue Laccase From Trametes Trogii Complexed with P-Methylbenzoate


Mono view


Stereo pair view

A full contact list of Calcium with other atoms in the Ca binding site number 3 of Crystal Structure of Blue Laccase From Trametes Trogii Complexed with P-Methylbenzoate within 5.0Å range: probe atom residue distance (Å) B Occ A:Ca1003 b:48.3 occ:1.00 O A:HOH3425 2.3 41.2 1.0 OD1 A:ASP183 2.5 25.3 1.0 O A:HOH3429 2.8 34.6 1.0 CG A:ASP183 3.6 23.4 1.0 OD2 A:ASP183 4.0 26.8 1.0 O A:LEU184 4.5 19.8 1.0 O A:HOH3495 4.7 41.9 1.0 CB A:ASP183 4.8 22.1 1.0 N A:LEU184 4.9 20.6 1.0 O A:HOH3430 4.9 43.4 1.0 CA A:ASP183 5.0 21.6 1.0

I.Matera, A.Gullotto, S.Tilli, M.Ferraroni, A.Scozzafava, F.Briganti. Crystal Structure of the Blue Multicopper Oxidase From the White-Rot Fungus Trametes Trogii Complexed with P-Toluate Inorg.Chim.Acta. V. 361 4129 2008.
ISSN: ISSN 0020-1693
DOI: 10.1016/J.ICA.2008.03.091