Receptor
PDB id Resolution Class Description Source Keywords
2UYP 2.44 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF E. COLI TDCF WITH BOUND PROPIONATE ESCHERICHIA COLI YJGF/YER057C/UK114 FAMILY 2-KETOBUTYRATE UNKNOWN FUNCTIONPROPIONATE TDCF PROTEIN LIGAND BINDING
Ref.: THE CRYSTAL STRUCTURE OF ESCHERICHIA COLI TDCF, A M THE HIGHLY CONSERVED YJGF/YER057C/UK114 FAMILY. BMC STRUCT.BIOL. V. 7 30 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
PPI B:1129;
C:1129;
Valid;
Valid;
none;
none;
submit data
74.079 C3 H6 O2 CCC(=...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2UYP 2.44 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF E. COLI TDCF WITH BOUND PROPIONATE ESCHERICHIA COLI YJGF/YER057C/UK114 FAMILY 2-KETOBUTYRATE UNKNOWN FUNCTIONPROPIONATE TDCF PROTEIN LIGAND BINDING
Ref.: THE CRYSTAL STRUCTURE OF ESCHERICHIA COLI TDCF, A M THE HIGHLY CONSERVED YJGF/YER057C/UK114 FAMILY. BMC STRUCT.BIOL. V. 7 30 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2UYP - PPI C3 H6 O2 CCC(=O)O
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 2UYP - PPI C3 H6 O2 CCC(=O)O
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2UYP - PPI C3 H6 O2 CCC(=O)O
2 5HP8 - PYR C3 H4 O3 CC(=O)C(=O....
3 1ONI - BEZ C7 H6 O2 c1ccc(cc1)....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PPI; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 PPI 1 1
2 BUA 0.5625 0.785714
3 2KT 0.5625 0.625
4 SMB 0.5 0.642857
5 LEA 0.473684 0.647059
6 AAE 0.470588 0.625
7 R3W 0.466667 0.642857
8 BXA 0.466667 0.642857
9 FAH 0.466667 0.642857
10 ACY 0.461538 0.636364
11 IVA 0.444444 0.714286
12 39J 0.4 0.6
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2UYP; Ligand: PPI; 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: 2uyp.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2UYP; Ligand: PPI; 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: 2uyp.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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