Gold in PDB 6grw: Glucuronoyl Esterase From Opitutus Terrae (Au Derivative)

The structure of Glucuronoyl Esterase From Opitutus Terrae (Au Derivative), PDB code: 6grw was solved by L.Lo Leggio, J.Larsbrink, R.Meland Knudsen, S.Mazurkewich, J.C.Navarropoulsen, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	46.27 / 1.50
Space group	P 1
Cell size a, b, c (Å), α, β, γ (°)	43.693, 44.608, 50.558, 76.57, 67.17, 70.65
R / Rfree (%)	13.5 / 15.9

The structure of Glucuronoyl Esterase From Opitutus Terrae (Au Derivative) also contains other interesting chemical elements:

Magnesium	(Mg)	2 atoms
Calcium	(Ca)	1 atom

The binding sites of Gold atom in the Glucuronoyl Esterase From Opitutus Terrae (Au Derivative) (pdb code 6grw). This binding sites where shown within 5.0 Angstroms radius around Gold atom.
In total 2 binding sites of Gold where determined in the Glucuronoyl Esterase From Opitutus Terrae (Au Derivative), PDB code: 6grw:
Jump to Gold binding site number: 1; 2;

Gold binding site 1 out of 2 in the Glucuronoyl Esterase From Opitutus Terrae (Au Derivative)


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 1 of Glucuronoyl Esterase From Opitutus Terrae (Au Derivative) within 5.0Å range: probe atom residue distance (Å) B Occ A:Au501 b:12.8 occ:0.26 SG A:CYS293 2.2 16.3 1.0 HG A:CYS293 2.4 19.4 0.0 O A:HOH902 2.5 19.7 1.0 HA A:THR306 2.7 17.4 1.0 O A:HOH756 2.9 23.4 1.0 O A:GLU305 3.0 16.4 1.0 HB2 A:CYS293 3.3 16.5 1.0 AU A:AU502 3.3 15.8 0.1 HG23 A:VAL307 3.4 21.0 1.0 HA A:SER299 3.4 17.4 1.0 CB A:CYS293 3.4 13.9 1.0 CA A:THR306 3.4 14.6 1.0 H A:VAL307 3.4 19.1 1.0 C A:THR306 3.5 13.6 1.0 N A:VAL307 3.5 16.0 1.0 O A:HOH616 3.6 23.1 1.0 CA A:CA503 3.6 16.1 0.8 O A:HOH655 3.7 15.6 1.0 C A:GLU305 3.8 12.4 1.0 HA A:CYS293 3.8 12.9 1.0 HG21 A:VAL307 3.9 21.0 1.0 N A:THR306 4.0 13.2 1.0 OG A:SER299 4.0 16.1 1.0 O A:THR306 4.1 15.3 1.0 HA A:VAL307 4.1 16.1 1.0 CG2 A:VAL307 4.1 17.6 1.0 HB3 A:SER299 4.1 18.9 1.0 CA A:CYS293 4.2 10.9 1.0 HB3 A:CYS293 4.2 16.5 1.0 CA A:SER299 4.2 14.6 1.0 CA A:VAL307 4.3 13.5 1.0 CB A:SER299 4.4 15.8 1.0 HG A:SER299 4.5 19.3 0.0 HG2 A:GLU305 4.6 15.2 1.0 H A:GLY294 4.6 16.1 1.0 HB3 A:GLU305 4.6 14.8 1.0 CB A:THR306 4.7 16.6 1.0 O A:HOH829 4.7 19.3 1.0 H A:THR306 4.7 15.8 1.0 HB A:THR306 4.8 19.9 1.0 O A:SER299 4.8 17.7 1.0 HG2 A:GLU329 4.8 17.9 1.0 HG22 A:VAL307 4.8 21.0 1.0 CB A:VAL307 4.9 14.0 1.0 C A:CYS293 4.9 11.6 1.0 HG21 A:THR306 4.9 24.1 1.0 N A:GLY294 4.9 13.5 1.0 OE2 A:GLU329 5.0 16.8 1.0 O A:HOH636 5.0 21.3 1.0

Gold binding site 2 out of 2 in the Glucuronoyl Esterase From Opitutus Terrae (Au Derivative)


Mono view


Stereo pair view

A full contact list of Gold with other atoms in the Au binding site number 2 of Glucuronoyl Esterase From Opitutus Terrae (Au Derivative) within 5.0Å range: probe atom residue distance (Å) B Occ A:Au502 b:15.8 occ:0.10 SG A:CYS293 2.4 16.3 1.0 H A:GLY294 2.6 16.1 1.0 N A:GLY294 2.7 13.5 1.0 HZ A:PHE322 2.9 16.1 1.0 O A:HOH655 3.0 15.6 1.0 HA2 A:GLY294 3.2 14.6 1.0 HG A:SER299 3.2 19.3 0.0 HG21 A:VAL307 3.2 21.0 1.0 C A:CYS293 3.2 11.6 1.0 HA3 A:GLY294 3.2 14.6 1.0 CA A:GLY294 3.3 12.2 1.0 OG A:SER299 3.3 16.1 1.0 AU A:AU501 3.3 12.8 0.3 HG A:CYS293 3.4 19.4 0.0 HE2 A:PHE322 3.6 13.7 1.0 HA A:CYS293 3.6 12.9 1.0 CB A:CYS293 3.7 13.9 1.0 CZ A:PHE322 3.7 13.5 1.0 CA A:CYS293 3.7 10.9 1.0 HG22 A:ILE310 3.7 18.3 1.0 O A:CYS293 3.9 13.5 1.0 CE2 A:PHE322 4.0 11.5 1.0 CG2 A:VAL307 4.0 17.6 1.0 HG23 A:VAL307 4.0 21.0 1.0 HA A:VAL307 4.1 16.1 1.0 HB3 A:CYS293 4.1 16.5 1.0 HD13 A:ILE310 4.3 14.8 1.0 HB2 A:CYS293 4.4 16.5 1.0 HZ A:PHE318 4.4 12.3 1.0 O A:HOH902 4.5 19.7 1.0 CB A:SER299 4.5 15.8 1.0 HB3 A:SER299 4.5 18.9 1.0 HG22 A:VAL307 4.6 21.0 1.0 CG2 A:ILE310 4.6 15.4 1.0 HG21 A:ILE310 4.7 18.3 1.0 C A:GLY294 4.7 13.3 1.0 HA A:SER299 4.8 17.4 1.0 HD11 A:ILE310 4.8 14.8 1.0 CZ A:PHE318 4.8 10.3 1.0 CE1 A:PHE322 4.9 13.1 1.0 CA A:VAL307 4.9 13.5 1.0 CD1 A:ILE310 5.0 12.4 1.0

J.Arnling Baath, S.Mazurkewich, R.M.Knudsen, J.N.Poulsen, L.Olsson, L.Lo Leggio, J.Larsbrink. Biochemical and Structural Features of Diverse Bacterial Glucuronoyl Esterases Facilitating Recalcitrant Biomass Conversion. Biotechnol Biofuels V. 11 213 2018.
ISSN: ESSN 1754-6834
PubMed: 30083226
DOI: 10.1186/S13068-018-1213-X