Receptor
PDB id Resolution Class Description Source Keywords
1VLT 2.2 Å NON-ENZYME: SIGNAL_HORMONE LIGAND BINDING DOMAIN OF THE WILD-TYPE ASPARTATE RECEPTOR WITH ASPARTATE SALMONELLA TYPHIMURIUM COMPLEX (CHEMOTAXIS/PEPTIDE) CHEMOTAXIS BACTERIAL CHEMOTAXIS RECEPTOR BOUND
Ref.: HIGH-RESOLUTION STRUCTURES OF THE LIGAND BINDING DOMAIN OF THE WILD-TYPE BACTERIAL ASPARTATE RECEPTOR. J.MOL.BIOL. V. 262 186 1996
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASP A:389;
Valid;
none;
submit data
133.103 C4 H7 N O4 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1VLT 2.2 Å NON-ENZYME: SIGNAL_HORMONE LIGAND BINDING DOMAIN OF THE WILD-TYPE ASPARTATE RECEPTOR WITH ASPARTATE SALMONELLA TYPHIMURIUM COMPLEX (CHEMOTAXIS/PEPTIDE) CHEMOTAXIS BACTERIAL CHEMOTAXIS RECEPTOR BOUND
Ref.: HIGH-RESOLUTION STRUCTURES OF THE LIGAND BINDING DOMAIN OF THE WILD-TYPE BACTERIAL ASPARTATE RECEPTOR. J.MOL.BIOL. V. 262 186 1996
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 263 families.
1 1VLT - ASP C4 H7 N O4 C([C@@H](C....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 196 families.
1 2LIG - ASP C4 H7 N O4 C([C@@H](C....
2 1VLT - ASP C4 H7 N O4 C([C@@H](C....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 171 families.
1 2LIG - ASP C4 H7 N O4 C([C@@H](C....
2 1VLT - ASP C4 H7 N O4 C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASP; Similar ligands found: 32
No: Ligand ECFP6 Tc MDL keys Tc
1 ASP 1 1
2 DAS 1 1
3 ASN 0.636364 0.793103
4 SER 0.545455 0.714286
5 DBB 0.545455 0.692308
6 2RA 0.545455 0.689655
7 ABA 0.545455 0.692308
8 DSN 0.545455 0.714286
9 DCY 0.521739 0.703704
10 CYS 0.521739 0.703704
11 C2N 0.521739 0.666667
12 SD4 0.5 0.648649
13 DGL 0.481481 0.846154
14 GLU 0.481481 0.846154
15 GGL 0.481481 0.846154
16 DAB 0.48 0.612903
17 HSE 0.48 0.758621
18 LEU 0.461538 0.642857
19 AS2 0.461538 0.916667
20 HCS 0.461538 0.655172
21 CSO 0.461538 0.6875
22 NVA 0.461538 0.62069
23 API 0.461538 0.75
24 CSS 0.444444 0.633333
25 CSD 0.444444 0.615385
26 11C 0.433333 0.814815
27 UN1 0.433333 0.814815
28 GLN 0.428571 0.7
29 DGN 0.428571 0.7
30 NPI 0.40625 0.785714
31 NCD 0.4 0.705882
32 ONL 0.4 0.7
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1VLT; Ligand: ASP; Similar sites found: 4
This union binding pocket(no: 1) in the query (biounit: 1vlt.bio1) has 9 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3G08 FEE 0.01336 0.44627 None
2 2PWG CTS 0.02015 0.40503 6.16438
3 1ND4 KAN 0.003629 0.42518 7.53425
4 2QTV GNP 0.01664 0.40448 13.0137
Feedback