Receptor
PDB id Resolution Class Description Source Keywords
4ISS 2.5 Å EC: 3.5.1.54 SEMET-SUBSTITUTED KLUYVEROMYCES LACTIS ALLOPHANATE HYDROLASE KLUYVEROMYCES LACTIS MIXED ALPHA AND BETA STRUCTURE ALLOPHANATE BINDING HYDROLA
Ref.: STRUCTURE AND FUNCTION OF ALLOPHANATE HYDROLASE. J.BIOL.CHEM. V. 288 21422 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GOL B:701;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
TAR A:701;
Valid;
none;
submit data
150.087 C4 H6 O6 [C@H]...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4ISS 2.5 Å EC: 3.5.1.54 SEMET-SUBSTITUTED KLUYVEROMYCES LACTIS ALLOPHANATE HYDROLASE KLUYVEROMYCES LACTIS MIXED ALPHA AND BETA STRUCTURE ALLOPHANATE BINDING HYDROLA
Ref.: STRUCTURE AND FUNCTION OF ALLOPHANATE HYDROLASE. J.BIOL.CHEM. V. 288 21422 2013
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4ISS - TAR C4 H6 O6 [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 4ISS - TAR C4 H6 O6 [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 3 families.
1 4ISS - TAR C4 H6 O6 [C@H]([C@@....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TAR; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 TAR 1 1
2 TLA 1 1
3 SRT 1 1
4 RAT 0.588235 1
5 LGT 0.588235 1
6 GAE 0.588235 1
7 LAC 0.5 0.611111
8 2OP 0.5 0.611111
9 IPM 0.47619 0.8
10 LFC 0.434783 0.777778
11 ICT 0.416667 0.727273
12 DXX 0.411765 0.777778
13 MAK 0.4 0.941176
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ISS; Ligand: TAR; 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: 4iss.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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