Cadmium in PDB 6rhe: Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide

All present enzymatic activity of Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide:
3.2.1.169;

The structure of Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide, PDB code: 6rhe was solved by D.Van Aalten, S.G.Bartual, A.Gorelik, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	48.17 / 3.10
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	117.651, 117.651, 147.900, 90.00, 90.00, 120.00
R / Rfree (%)	18.9 / 23.3

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 20; Page 3, Binding sites: 21 - 25;

Binding sites:

The binding sites of Cadmium atom in the Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide (pdb code 6rhe). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 25 binding sites of Cadmium where determined in the Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide, PDB code: 6rhe:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Cadmium binding site 1 out of 25 in the Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 1 of Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd701 b:97.4 occ:1.00 OE2 A:GLU145 2.5 77.2 1.0 OD1 A:ASP117 2.6 0.3 1.0 OE1 A:GLU145 2.9 75.4 1.0 CD A:GLU145 3.0 84.1 1.0 CG A:ASP117 3.3 1.0 1.0 OD2 A:ASP117 3.4 0.1 1.0 OG1 A:THR124 3.9 81.7 1.0 CB A:ASP117 4.5 97.0 1.0 CG A:GLU145 4.5 87.1 1.0 CD A:CD717 4.8 0.3 1.0 CA A:ASP117 4.8 94.3 1.0 CB A:THR124 4.9 86.3 1.0 CD1 A:LEU120 4.9 94.8 1.0

Cadmium binding site 2 out of 25 in the Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 2 of Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd702 b:0.8 occ:1.00 O A:HOH807 2.1 46.2 1.0 OD2 A:ASP139 2.2 0.3 1.0 CG A:ASP139 2.9 97.0 1.0 OD1 A:ASP139 2.9 90.7 1.0 ND2 A:ASN138 4.0 84.9 1.0 CB A:ASP139 4.3 90.2 1.0 OD1 A:ASN138 4.5 93.4 1.0 CG A:ASN138 4.7 84.5 1.0

Cadmium binding site 3 out of 25 in the Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 3 of Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd703 b:85.5 occ:1.00 OE2 A:GLU282 2.2 0.3 1.0 OD2 A:ASP286 2.4 75.7 1.0 OD1 A:ASP286 2.5 73.2 1.0 CG A:ASP286 2.8 74.3 1.0 CD A:GLU282 3.2 0.7 1.0 CG A:GLU282 3.6 89.2 1.0 CB A:ASP286 4.3 69.8 1.0 OE1 A:GLU282 4.4 0.0 1.0 NZ A:LYS322 4.7 74.5 1.0 O A:GLU282 4.8 91.0 1.0

Cadmium binding site 4 out of 25 in the Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 4 of Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd704 b:0.6 occ:1.00 OD2 A:ASP58 2.4 0.9 1.0 OD1 A:ASP58 2.8 0.1 1.0 CG A:ASP58 2.8 0.5 1.0 CB A:ASP58 4.2 0.7 1.0

Cadmium binding site 5 out of 25 in the Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 5 of Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd705 b:0.9 occ:1.00 OD2 A:ASP266 2.9 0.4 1.0 NZ A:LYS306 3.8 0.4 1.0 CE A:LYS306 4.0 0.8 1.0 CG A:ASP266 4.1 0.3 1.0 OD1 A:ASP266 4.5 0.7 1.0

Cadmium binding site 6 out of 25 in the Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 6 of Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd706 b:85.0 occ:1.00 OD2 A:ASP112 2.2 79.6 1.0 CG A:ASP112 3.3 85.6 1.0 OD1 A:ASP112 3.7 83.3 1.0 CB A:ASP112 4.6 78.6 1.0

Cadmium binding site 7 out of 25 in the Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 7 of Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd707 b:0.3 occ:1.00 CG A:GLU581 4.3 0.9 1.0 CD A:GLU581 4.8 0.6 1.0 OE1 A:GLU581 4.9 0.2 1.0

Cadmium binding site 8 out of 25 in the Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 8 of Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd708 b:0.6 occ:1.00 O A:LEU68 2.4 97.3 1.0 OE1 A:GLU71 2.6 0.8 1.0 OE2 A:GLU71 2.6 0.7 1.0 CD A:GLU71 2.9 0.3 1.0 O A:HOH826 3.0 52.6 1.0 C A:LEU68 3.5 81.7 1.0 CA A:VAL69 4.0 70.9 1.0 OE1 A:GLU72 4.1 0.6 1.0 N A:VAL69 4.2 79.6 1.0 OE2 A:GLU72 4.3 0.4 1.0 N A:GLY70 4.4 82.5 1.0 CG A:GLU71 4.4 1.0 1.0 CA A:LEU68 4.6 85.5 1.0 CD A:GLU72 4.6 0.7 1.0 C A:VAL69 4.7 73.9 1.0 CB A:LEU68 4.7 83.4 1.0 N A:GLU71 4.9 84.0 1.0

Cadmium binding site 9 out of 25 in the Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 9 of Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd709 b:96.4 occ:1.00 OE1 A:GLU108 2.2 0.6 1.0 O A:GLU73 2.5 83.8 1.0 OD2 A:ASP111 2.5 81.5 1.0 OD1 A:ASP111 2.7 75.9 1.0 CG A:ASP111 3.0 74.8 1.0 CD A:GLU108 3.4 0.3 1.0 C A:GLU73 3.6 83.0 1.0 CA A:ALA74 4.2 92.1 1.0 CG A:GLU108 4.2 94.4 1.0 C A:ALA74 4.3 87.7 1.0 N A:ASP75 4.3 76.3 1.0 CB A:GLU108 4.3 80.5 1.0 N A:ALA74 4.3 88.7 1.0 OE2 A:GLU108 4.4 0.6 1.0 OD1 A:ASP110 4.5 95.7 1.0 CB A:ASP111 4.5 65.2 1.0 CA A:GLU73 4.8 92.5 1.0 O A:ALA74 4.8 0.9 1.0 N A:GLU108 4.9 69.9 1.0

Cadmium binding site 10 out of 25 in the Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide


Mono view


Stereo pair view

A full contact list of Cadmium with other atoms in the Cd binding site number 10 of Cpoga D298N in Complex with Hoga-Derived S-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd710 b:0.4 occ:1.00 OD1 A:ASP252 2.8 0.2 1.0 OD2 A:ASP252 3.0 87.7 1.0 OD2 A:ASP150 3.1 0.4 1.0 CG A:ASP252 3.2 85.8 1.0 NZ A:LYS326 3.5 0.9 1.0 CG A:ASP150 3.9 86.5 1.0 OD1 A:ASP150 4.1 84.5 1.0 O A:LYS250 4.6 64.2 1.0 CB A:ASP252 4.8 71.0 1.0 CE A:LYS326 4.9 0.4 1.0

A.Gorelik, S.G.Bartual, V.S.Borodkin, J.Varghese, A.T.Ferenbach, D.M.F.Van Aalten. Genetic Recoding to Dissect the Roles of Site-Specific Protein O-Glcnacylation. Nat.Struct.Mol.Biol. V. 26 1071 2019.
ISSN: ESSN 1545-9985
PubMed: 31695185
DOI: 10.1038/S41594-019-0325-8