Cadmium in PDB 2yds: Cpoga D298N in Complex with TAB1-Derived O-Glcnac Peptide

All present enzymatic activity of Cpoga D298N in Complex with TAB1-Derived O-Glcnac Peptide:
3.2.1.169;

The structure of Cpoga D298N in Complex with TAB1-Derived O-Glcnac Peptide, PDB code: 2yds was solved by M.Schimpl, V.S.Borodkin, L.J.Gray, D.M.F.Van Aalten, with X-Ray Crystallography technique. A brief refinement statistics is given in the table below:

Resolution Low / High (Å)	25.00 / 2.55
Space group	P 61
Cell size a, b, c (Å), α, β, γ (°)	118.090, 118.090, 148.260, 90.00, 90.00, 120.00
R / Rfree (%)	20.007 / 23.846

Pages:

>>> Page 1 <<< Page 2, Binding sites: 11 - 19;

Binding sites:

The binding sites of Cadmium atom in the Cpoga D298N in Complex with TAB1-Derived O-Glcnac Peptide (pdb code 2yds). This binding sites where shown within 5.0 Angstroms radius around Cadmium atom.
In total 19 binding sites of Cadmium where determined in the Cpoga D298N in Complex with TAB1-Derived O-Glcnac Peptide, PDB code: 2yds:
Jump to Cadmium binding site number: 1; 2; 3; 4; 5; 6; 7; 8; 9; 10;

Cadmium binding site 1 out of 19 in the Cpoga D298N in Complex with TAB1-Derived O-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 TAB1-Derived O-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1619 b:55.3 occ:1.00 OE2 A:GLU51 1.5 42.6 1.0 O A:HOH2004 1.9 21.8 1.0 OD1 A:ASP452 2.3 40.7 1.0 OD1 A:ASN450 2.6 34.9 1.0 CD A:GLU51 2.7 42.9 1.0 CG A:ASP452 3.3 39.4 1.0 OE1 A:GLU51 3.4 45.5 1.0 CG A:ASN450 3.5 33.3 1.0 OD2 A:ASP452 3.6 43.4 1.0 CG A:GLU51 3.9 39.4 1.0 ND2 A:ASN450 4.0 32.7 1.0 O A:HOH2034 4.0 43.2 1.0 N A:ASP452 4.5 36.2 1.0 CA A:ASN450 4.5 32.8 1.0 N A:ASN453 4.5 35.8 1.0 CB A:ASN450 4.6 32.8 1.0 O A:HOH2005 4.6 31.1 1.0 C A:ASN450 4.6 33.2 1.0 CB A:ASP452 4.6 37.0 1.0 CB A:ASN453 4.8 35.4 1.0 N A:MET451 4.8 33.8 1.0 CA A:ASP452 4.9 36.8 1.0 OG1 A:THR178 4.9 31.6 1.0

Cadmium binding site 2 out of 19 in the Cpoga D298N in Complex with TAB1-Derived O-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 TAB1-Derived O-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1620 b:0.8 occ:1.00 OE1 A:GLU54 3.1 57.2 1.0 OE2 A:GLU54 3.1 58.5 1.0 CD A:GLU54 3.4 54.8 1.0 CG A:GLU54 4.8 44.4 1.0

Cadmium binding site 3 out of 19 in the Cpoga D298N in Complex with TAB1-Derived O-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 TAB1-Derived O-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1621 b:54.6 occ:1.00 OD2 A:ASP58 2.1 39.5 1.0 O A:HOH2001 2.2 48.6 1.0 CG A:ASP58 2.8 39.4 1.0 OD1 A:ASP58 2.8 41.3 1.0 ND2 A:ASN39 4.3 58.9 1.0 CB A:ASP58 4.3 37.6 1.0 OD1 A:ASN39 4.4 58.1 1.0 NE2 A:GLN40 4.6 51.9 1.0 CG A:ASN39 4.8 54.9 1.0 O A:HOH2007 4.9 18.8 1.0

Cadmium binding site 4 out of 19 in the Cpoga D298N in Complex with TAB1-Derived O-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 TAB1-Derived O-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1622 b:57.8 occ:1.00 OE1 A:GLU71 2.4 47.8 1.0 O A:LEU68 2.4 37.6 1.0 O A:HOH2009 2.5 33.3 1.0 OE2 A:GLU71 2.7 47.4 1.0 CD A:GLU71 2.9 48.0 1.0 C A:LEU68 3.5 36.6 1.0 OE2 A:GLU72 3.6 53.5 1.0 CA A:VAL69 4.0 35.5 1.0 OE1 A:GLU72 4.1 53.4 1.0 N A:VAL69 4.2 36.2 1.0 CD A:GLU72 4.2 52.6 1.0 O A:HOH2016 4.2 31.2 1.0 CG A:GLU71 4.5 43.3 1.0 N A:GLY70 4.6 36.1 1.0 CA A:LEU68 4.7 36.8 1.0 C A:VAL69 4.7 36.0 1.0 CB A:LEU68 4.8 36.8 1.0

Cadmium binding site 5 out of 19 in the Cpoga D298N in Complex with TAB1-Derived O-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 TAB1-Derived O-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1623 b:46.9 occ:1.00 O A:HOH2019 2.0 35.5 1.0 O A:GLU73 2.3 38.5 1.0 OE1 A:GLU108 2.4 42.6 1.0 OD1 A:ASP111 2.6 42.9 1.0 OD2 A:ASP111 2.8 41.0 1.0 CG A:ASP111 3.0 39.9 1.0 C A:GLU73 3.4 39.0 1.0 CD A:GLU108 3.6 39.0 1.0 OD1 A:ASP110 4.1 44.3 1.0 CA A:ALA74 4.1 37.6 1.0 N A:ALA74 4.2 38.2 1.0 C A:ALA74 4.3 37.5 1.0 OE2 A:GLU108 4.3 35.5 1.0 O A:HOH2010 4.4 47.1 1.0 N A:ASP75 4.4 37.2 1.0 CA A:GLU73 4.5 40.3 1.0 CG A:GLU108 4.5 35.0 1.0 CB A:ASP111 4.5 38.3 1.0 CB A:GLU108 4.5 32.7 1.0 CB A:GLU73 4.6 41.5 1.0 O A:ALA74 4.8 37.4 1.0 N A:GLU108 4.9 31.9 1.0

Cadmium binding site 6 out of 19 in the Cpoga D298N in Complex with TAB1-Derived O-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 TAB1-Derived O-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1624 b:40.1 occ:1.00 O A:HOH2021 1.9 13.5 1.0 OD2 A:ASP112 2.2 47.8 1.0 O A:HOH2020 2.6 29.6 1.0 CG A:ASP112 3.4 43.9 1.0 OD1 A:ASP112 3.9 46.5 1.0 CB A:ASP112 4.7 41.0 1.0

Cadmium binding site 7 out of 19 in the Cpoga D298N in Complex with TAB1-Derived O-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 TAB1-Derived O-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1625 b:46.4 occ:1.00 OD1 A:ASP117 2.1 39.5 1.0 OE2 A:GLU145 2.5 42.4 1.0 CG A:ASP117 2.8 40.4 1.0 OD2 A:ASP117 2.8 42.8 1.0 CD A:GLU145 3.3 37.8 1.0 OE1 A:GLU145 3.4 38.6 1.0 OG1 A:THR124 3.7 40.1 1.0 CB A:ASP117 4.3 38.7 1.0 CB A:THR124 4.8 38.7 1.0 CG A:GLU145 4.8 33.6 1.0 CD1 A:LEU120 4.8 36.2 1.0 CA A:ASP117 4.9 38.4 1.0 CA A:VAL109 4.9 35.0 1.0

Cadmium binding site 8 out of 19 in the Cpoga D298N in Complex with TAB1-Derived O-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 TAB1-Derived O-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1626 b:52.9 occ:1.00 OD1 A:ASP139 2.5 36.9 0.0 OD2 A:ASP139 2.5 37.0 0.0 CG A:ASP139 2.8 37.1 0.0 ND2 A:ASN138 3.2 35.2 0.0 CB A:ASP139 4.2 37.3 1.0 CG A:ASN138 4.5 35.3 0.0 O A:HOH2026 4.6 19.3 1.0 O A:HOH2027 4.9 27.3 1.0 OD1 A:ASN138 4.9 35.1 0.0

Cadmium binding site 9 out of 19 in the Cpoga D298N in Complex with TAB1-Derived O-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 TAB1-Derived O-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1627 b:67.8 occ:1.00 OD1 A:ASP252 2.6 39.8 1.0 CG A:ASP252 3.4 35.0 1.0 OD2 A:ASP252 3.4 38.6 1.0 OD2 A:ASP150 3.8 40.5 1.0 OD1 A:ASP150 3.9 39.0 1.0 CG A:ASP150 4.2 37.2 1.0 NZ A:LYS326 4.2 49.0 1.0 O A:LYS250 4.6 31.1 1.0 CB A:ASP252 4.8 31.5 1.0

Cadmium binding site 10 out of 19 in the Cpoga D298N in Complex with TAB1-Derived O-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 TAB1-Derived O-Glcnac Peptide within 5.0Å range: probe atom residue distance (Å) B Occ A:Cd1628 b:36.1 occ:1.00 O A:HOH2033 2.0 27.8 1.0 O A:HOH2026 2.1 19.3 1.0 O A:HOH2027 2.3 27.3 1.0 OE1 A:GLU170 2.3 33.3 1.0 OE2 A:GLU170 2.5 31.3 1.0 CD A:GLU170 2.8 32.5 1.0 O A:HOH2007 3.1 18.8 1.0 N A:ASP58 4.2 36.1 1.0 OD1 A:ASP139 4.2 36.9 0.0 CG A:GLU170 4.3 30.7 1.0 OD1 A:ASN138 4.3 35.1 0.0 CA A:GLY57 4.5 34.2 1.0 N A:ASP139 4.7 36.7 1.0 O A:GLY59 4.7 37.4 1.0 N A:GLY59 4.8 37.3 1.0 C A:GLY57 4.8 35.2 1.0 CG A:ASN138 4.9 35.3 0.0

M.Schimpl, V.S.Borodkin, L.J.Gray, D.M.F.Van Aalten. Synergy of Peptide and Sugar in O-Glcnacase Substrate Recognition. Chem.Biol. V. 19 173 2012.
ISSN: ISSN 1074-5521
PubMed: 22365600
DOI: 10.1016/J.CHEMBIOL.2012.01.011