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(=...
View in 3D viewer
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 1256 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 1068 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 922 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 FAH 0.466667 0.642857
9 BXA 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: 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 P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2UYP; Ligand: PPI; Similar sites found: 19
This union binding pocket(no: 2) in the query (biounit: 2uyp.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1T32 OHH 0.01674 0.41058 None
2 2OWZ F6P 0.01769 0.40568 None
3 4FG8 ATP 0.005247 0.43313 2.32558
4 2B9H ADP 0.006995 0.42768 2.32558
5 5UKL SIX 0.006144 0.43773 5.42636
6 2YAB AMP 0.005506 0.4288 5.42636
7 4JDI ANP 0.01356 0.41503 5.42636
8 5UIJ TYD 0.01898 0.42944 6.97674
9 1M2T ADE 0.004606 0.41448 8.52713
10 4OAV ACP 0.01358 0.40604 8.52713
11 3G5D 1N1 0.03778 0.40098 8.52713
12 2PT9 S4M 0.01707 0.41045 10.8527
13 2PT9 2MH 0.02344 0.40989 10.8527
14 4U44 3D9 0.0203 0.40116 10.8527
15 1U5R ATP 0.007617 0.41521 13.1783
16 3ORK AGS 0.006857 0.43124 15.5039
17 3Q60 ATP 0.01277 0.40794 15.5039
18 5AG3 3EB 0.00001112 0.5508 24.031
19 2YAK OSV 0.01211 0.42419 27.1318
Feedback