Receptor
PDB id Resolution Class Description Source Keywords
5OKU 2.07 Å NON-ENZYME: OTHER R. PALUSTRIS RPA4515 WITH ADIPATE RHODOPSEUDOMONAS PALUSTRIS CGA009 TRIPARTITE TRICARBOXYLATE TRANSPORTER TRANSPORT PROTEIN
Ref.: STRUCTURAL BASIS FOR HIGH-AFFINITY ADIPATE BINDING (RPA4515), AN ORPHAN PERIPLASMIC-BINDING PROTEIN FR TRIPARTITE TRICARBOXYLATE TRANSPORTER (TTT) FAMILY RHODOPSEUDOMONAS PALUSTRIS. FEBS J. V. 284 4262 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:404;
A:403;
A:402;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
GOL A:406;
A:405;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
0L1 A:401;
Valid;
none;
Kd = 0.55 uM
146.141 C6 H10 O4 C(CCC...
ACY A:407;
Invalid;
none;
submit data
60.052 C2 H4 O2 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5OKU 2.07 Å NON-ENZYME: OTHER R. PALUSTRIS RPA4515 WITH ADIPATE RHODOPSEUDOMONAS PALUSTRIS CGA009 TRIPARTITE TRICARBOXYLATE TRANSPORTER TRANSPORT PROTEIN
Ref.: STRUCTURAL BASIS FOR HIGH-AFFINITY ADIPATE BINDING (RPA4515), AN ORPHAN PERIPLASMIC-BINDING PROTEIN FR TRIPARTITE TRICARBOXYLATE TRANSPORTER (TTT) FAMILY RHODOPSEUDOMONAS PALUSTRIS. FEBS J. V. 284 4262 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1579 families.
1 5OKU Kd = 0.55 uM 0L1 C6 H10 O4 C(CCC(=O)O....
2 5OEI Kd = 1.6 uM OOG C6 H8 O5 C(CC(=O)C(....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1312 families.
1 5OKU Kd = 0.55 uM 0L1 C6 H10 O4 C(CCC(=O)O....
2 5OEI Kd = 1.6 uM OOG C6 H8 O5 C(CC(=O)C(....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1130 families.
1 5OKU Kd = 0.55 uM 0L1 C6 H10 O4 C(CCC(=O)O....
2 5OEI Kd = 1.6 uM OOG C6 H8 O5 C(CC(=O)C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 0L1; Similar ligands found: 17
No: Ligand ECFP6 Tc MDL keys Tc
1 0L1 1 1
2 PML 0.764706 0.947368
3 AZ1 0.722222 0.9
4 SHO 0.65 0.761905
5 GUA 0.647059 0.944444
6 6NA 0.619048 0.608696
7 SIN 0.5625 0.833333
8 12H 0.541667 0.695652
9 9J6 0.538462 0.68
10 BRC 0.52 0.608696
11 NPI 0.464286 0.692308
12 OOG 0.458333 0.85
13 KTC 0.433333 0.615385
14 RED 0.419355 0.625
15 MLA 0.411765 0.619048
16 SSN 0.409091 0.722222
17 5PV 0.40625 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5OKU; Ligand: 0L1; 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: 5oku.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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