Cadmium in PDB 8qve: C-Glucosyl Oxidoreductase (DACGO1) From Deinococcus Aerius

The structure of C-Glucosyl Oxidoreductase (DACGO1) From Deinococcus Aerius, PDB code: 8qve was solved by V.Furlanetto, D.C.Kalyani, A.Kostelac, D.Haltrich, B.M.Hallberg, C.Divne, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.59 / 1.70
Space group	C 2 2 21
Cell size a, b, c (Å), α, β, γ (°)	84.98, 123.71, 99.17, 90, 90, 90
R / Rfree (%)	18.9 / 21.5

The binding sites of Cadmium atom in the C-Glucosyl Oxidoreductase (DACGO1) From Deinococcus Aerius (pdb code 8qve). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 4 binding sites of Cadmium where determined in the C-Glucosyl Oxidoreductase (DACGO1) From Deinococcus Aerius, PDB code: 8qve:
Jump to Cadmium binding site number: 1; 2; 3; 4;

Cadmium binding site 1 out of 4 in the C-Glucosyl Oxidoreductase (DACGO1) From Deinococcus Aerius


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of C-Glucosyl Oxidoreductase (DACGO1) From Deinococcus Aerius within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd605 b:20.1 occ:0.50 OE2 A:GLU371 2.4 22.8 1.0 OE1 A:GLU371 2.4 15.2 1.0 O A:HOH938 2.5 11.0 1.0 CD A:GLU371 2.7 19.0 1.0 CB A:ALA402 4.1 23.9 1.0 CG A:GLU371 4.2 20.8 1.0 O A:HOH927 4.4 26.9 0.5 OG1 A:THR400 4.4 21.6 1.0 CB A:THR400 4.5 22.2 1.0 O A:HOH958 4.7 33.4 1.0 CG2 A:THR400 4.9 21.4 1.0 O A:HOH812 4.9 32.1 1.0

Cadmium binding site 2 out of 4 in the C-Glucosyl Oxidoreductase (DACGO1) From Deinococcus Aerius


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of C-Glucosyl Oxidoreductase (DACGO1) From Deinococcus Aerius within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd606 b:35.8 occ:0.37 OE2 A:GLU88 2.6 38.5 1.0 OE1 A:GLU85 2.6 45.1 1.0 OE2 A:GLU85 2.9 47.7 1.0 CD A:GLU85 3.1 42.1 1.0 OE1 A:GLU88 3.2 41.5 1.0 CD A:GLU88 3.2 37.7 1.0 O A:HOH709 4.5 33.3 1.0 CG A:GLU85 4.6 33.0 1.0 CG A:GLU88 4.7 31.9 1.0

Cadmium binding site 3 out of 4 in the C-Glucosyl Oxidoreductase (DACGO1) From Deinococcus Aerius


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of C-Glucosyl Oxidoreductase (DACGO1) From Deinococcus Aerius within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd607 b:34.0 occ:0.54 ND1 A:HIS396 2.7 30.7 1.0 CG A:HIS396 3.5 28.3 1.0 CB A:HIS396 3.5 22.4 1.0 CE1 A:HIS396 3.7 30.3 1.0 OE2 A:GLU113 3.7 37.1 1.0 O A:HOH875 4.4 27.8 1.0 OE1 A:GLU113 4.4 26.0 1.0 CD A:GLU113 4.5 27.2 1.0 CD2 A:HIS396 4.6 25.9 1.0 CA A:HIS396 4.6 21.1 1.0 NE2 A:HIS396 4.7 27.0 1.0 CE1 A:HIS377 4.9 23.8 1.0

Cadmium binding site 4 out of 4 in the C-Glucosyl Oxidoreductase (DACGO1) From Deinococcus Aerius


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of C-Glucosyl Oxidoreductase (DACGO1) From Deinococcus Aerius within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd608 b:47.8 occ:0.37 OE2 A:GLU449 2.3 43.5 1.0 OE1 A:GLU449 2.6 39.7 1.0 CD A:GLU449 2.8 38.0 1.0 CG A:GLU449 4.3 34.0 1.0 CB A:PHE145 4.8 25.3 1.0

V.Furlanetto, D.C.Kalyani, A.Kostelac, J.Puc, D.Haltrich, B.M.Hallberg, C.Divne. Structural and Functional Characterization of A Gene Cluster Responsible For Deglycosylation of C-Glucosyl Flavonoids and Xanthonoids By Deinococcus Aerius. J.Mol.Biol. V. 436 68547 2024.
ISSN: ESSN 1089-8638
PubMed: 38508304
DOI: 10.1016/J.JMB.2024.168547