Receptor
PDB id Resolution Class Description Source Keywords
1W3T 2.1 Å EC: 4.1.2.20 SULFOLOBUS SOLFATARICUS 2-KETO-3-DEOXYGLUCONATE (KDG) ALDOLA WITH D-KDGAL, D-GLYCERALDEHYDE AND PYRUVATE SULFOLOBUS SOLFATARICUS LYASE ARCHAEAL METABOLISM D-KDGAL PYRUVATE D- GLYCERALDE
Ref.: THE STRUCTURAL BASIS FOR SUBSTRATE PROMISCUITY IN 2-KETO-3-DEOXYGLUCONATE ALDOLASE FROM THE ENTNER-DO PATHWAY IN SULFOLOBUS SOLFATARICUS. J. BIOL. CHEM. V. 279 43886 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3GR A:1297;
B:1297;
C:1297;
D:1297;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
90.078 C3 H6 O3 C([C@...
GOL A:1298;
B:1298;
C:1298;
D:1298;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
PYR A:1296;
B:1296;
C:1296;
D:1296;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
88.062 C3 H4 O3 CC(=O...
RSH A:1295;
B:1295;
C:1295;
D:1295;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W3T 2.1 Å EC: 4.1.2.20 SULFOLOBUS SOLFATARICUS 2-KETO-3-DEOXYGLUCONATE (KDG) ALDOLA WITH D-KDGAL, D-GLYCERALDEHYDE AND PYRUVATE SULFOLOBUS SOLFATARICUS LYASE ARCHAEAL METABOLISM D-KDGAL PYRUVATE D- GLYCERALDE
Ref.: THE STRUCTURAL BASIS FOR SUBSTRATE PROMISCUITY IN 2-KETO-3-DEOXYGLUCONATE ALDOLASE FROM THE ENTNER-DO PATHWAY IN SULFOLOBUS SOLFATARICUS. J. BIOL. CHEM. V. 279 43886 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1W3T - 3GR C3 H6 O3 C([C@H](C=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1W3T - 3GR C3 H6 O3 C([C@H](C=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1W3T - 3GR C3 H6 O3 C([C@H](C=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 3GR; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 GXV 1 1
2 3GR 1 1
3 RB5 0.4 0.809524
4 XLS 0.4 0.809524
5 ROR 0.4 0.809524
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W3T; Ligand: 3GR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1w3t.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1W3T; Ligand: 3GR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1w3t.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1W3T; Ligand: 3GR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1w3t.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1W3T; Ligand: 3GR; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1w3t.bio1) has 6 residues
No: Leader PDB Ligand Sequence Similarity
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