Copper in PDB 6q63: BT0459

All present enzymatic activity of BT0459:
3.2.1.52;

The structure of BT0459, PDB code: 6q63 was solved by A.Basle, L.Crouch, D.Bolam, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	49.80 / 2.44
Space group	I 2 2 2
Cell size a, b, c (Å), α, β, γ (°)	175.842, 186.880, 242.279, 90.00, 90.00, 90.00
R / Rfree (%)	21.1 / 23.5

The structure of BT0459 also contains other interesting chemical elements:

Calcium

(Ca)

3 atoms

The binding sites of Copper atom in the BT0459 (pdb code 6q63). This binding sites where shown within 5.0 Angstroms radius around Copper atom.
In total 3 binding sites of Copper where determined in the BT0459, PDB code: 6q63:
Jump to Copper binding site number: 1; 2; 3;

Copper binding site 1 out of 3 in the BT0459


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 1 of BT0459 within 5.0Å range: probe atom residue distance (Å) B Occ A:Cu901 b:41.7 occ:1.00 SG A:CYS342 2.3 44.1 1.0 SG A:CYS345 2.4 42.6 1.0 SG A:CYS301 2.4 42.1 1.0 SG A:CYS282 2.4 43.3 1.0 CB A:CYS342 3.1 44.7 1.0 CB A:CYS301 3.3 40.5 1.0 CB A:CYS282 3.4 44.1 1.0 CB A:CYS345 3.6 43.1 1.0 CA A:CYS301 3.7 39.8 1.0 CA A:CYS282 3.8 44.0 1.0 N A:CYS345 4.0 43.9 1.0 C A:CYS301 4.3 39.4 1.0 CD1 A:TRP339 4.4 41.6 1.0 CA A:CYS345 4.4 43.6 1.0 N A:ALA302 4.4 39.3 1.0 N A:GLY303 4.6 40.7 1.0 CA A:CYS342 4.6 45.8 1.0 N A:CYS282 4.6 43.0 1.0 CB A:LYS344 4.6 44.4 1.0 NE1 A:TRP339 4.8 41.1 1.0 N A:CYS301 4.9 39.4 1.0

Copper binding site 2 out of 3 in the BT0459


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 2 of BT0459 within 5.0Å range: probe atom residue distance (Å) B Occ B:Cu901 b:47.1 occ:1.00 SG B:CYS342 2.2 52.6 1.0 SG B:CYS301 2.2 45.6 1.0 SG B:CYS345 2.3 47.0 1.0 SG B:CYS282 2.5 47.3 1.0 CB B:CYS342 3.0 52.2 1.0 CB B:CYS301 3.3 45.9 1.0 CB B:CYS282 3.4 49.2 1.0 CB B:CYS345 3.5 47.4 1.0 CA B:CYS301 3.6 45.7 1.0 CA B:CYS282 3.8 50.1 1.0 N B:CYS345 3.9 48.6 1.0 CA B:CYS345 4.3 47.8 1.0 C B:CYS301 4.3 46.4 1.0 CD1 B:TRP339 4.3 47.1 1.0 N B:ALA302 4.4 46.4 1.0 CA B:CYS342 4.5 53.0 1.0 CB B:LYS344 4.5 49.6 1.0 N B:GLY303 4.5 47.6 1.0 N B:CYS282 4.6 49.8 1.0 NE1 B:TRP339 4.8 46.6 1.0 C B:LYS344 4.9 49.3 1.0 N B:CYS301 4.9 45.5 1.0 CA B:TRP339 5.0 49.7 1.0

Copper binding site 3 out of 3 in the BT0459


Mono view


Stereo pair view

A full contact list of Copper with other atoms in the Cu binding site number 3 of BT0459 within 5.0Å range: probe atom residue distance (Å) B Occ C:Cu901 b:46.8 occ:1.00 SG C:CYS342 2.2 48.3 1.0 SG C:CYS301 2.3 50.5 1.0 SG C:CYS345 2.3 47.2 1.0 SG C:CYS282 2.5 51.5 1.0 CB C:CYS342 3.2 49.3 1.0 CB C:CYS301 3.2 50.6 1.0 CB C:CYS282 3.4 52.5 1.0 CB C:CYS345 3.5 46.6 1.0 CA C:CYS301 3.6 50.0 1.0 CA C:CYS282 3.8 53.4 1.0 N C:CYS345 3.9 47.6 1.0 C C:CYS301 4.2 49.6 1.0 CA C:CYS345 4.2 47.0 1.0 N C:ALA302 4.3 49.0 1.0 CD1 C:TRP339 4.3 45.4 1.0 N C:GLY303 4.5 48.9 1.0 N C:CYS282 4.5 52.9 1.0 CB C:LYS344 4.5 49.3 1.0 CA C:CYS342 4.6 50.2 1.0 NE1 C:TRP339 4.7 45.2 1.0 N C:CYS301 4.8 50.1 1.0 C C:LYS344 4.9 48.1 1.0

J.Briliute, P.A.Urbanowicz, A.S.Luis, A.Basle, N.Paterson, O.Rebello, J.Hendel, D.A.Ndeh, E.C.Lowe, E.C.Martens, D.I.R.Spencer, D.N.Bolam, L.I.Crouch. Complex N-Glycan Breakdown By Gut Bacteroides Involves An Extensive Enzymatic Apparatus Encoded By Multiple Co-Regulated Genetic Loci. Nat Microbiol V. 4 1571 2019.
ISSN: ESSN 2058-5276
PubMed: 31160824
DOI: 10.1038/S41564-019-0466-X