Receptor
PDB id Resolution Class Description Source Keywords
4JOB 2.17 Å EC: 3.1.3.2 CRYSTAL STRUCTURE OF HUMAN LYSOPHOSPHATIDIC ACID PHOSPHATASE COMPLEXED WITH L-(+)-TARTRATE HOMO SAPIENS HYDROLASE ROSSMANN FOLD MITOCHONDRIA
Ref.: CRYSTAL STRUCTURES AND BIOCHEMICAL STUDIES OF HUMAN LYSOPHOSPHATIDIC ACID PHOSPHATASE TYPE 6 PROTEIN CELL V. 4 548 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TLA A:501;
Valid;
none;
submit data
150.087 C4 H6 O6 [C@@H...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JOB 2.17 Å EC: 3.1.3.2 CRYSTAL STRUCTURE OF HUMAN LYSOPHOSPHATIDIC ACID PHOSPHATASE COMPLEXED WITH L-(+)-TARTRATE HOMO SAPIENS HYDROLASE ROSSMANN FOLD MITOCHONDRIA
Ref.: CRYSTAL STRUCTURES AND BIOCHEMICAL STUDIES OF HUMAN LYSOPHOSPHATIDIC ACID PHOSPHATASE TYPE 6 PROTEIN CELL V. 4 548 2013
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 8 families.
1 4JOB - TLA C4 H6 O6 [C@@H]([C@....
2 4JOC - MLA C3 H4 O4 C(C(=O)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 7 families.
1 4JOB - TLA C4 H6 O6 [C@@H]([C@....
2 4JOC - MLA C3 H4 O4 C(C(=O)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 6 families.
1 4JOB - TLA C4 H6 O6 [C@@H]([C@....
2 4JOC - MLA C3 H4 O4 C(C(=O)O)C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: TLA; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 SRT 1 1
2 TAR 1 1
3 TLA 1 1
4 LGT 0.588235 1
5 GAE 0.588235 1
6 RAT 0.588235 1
7 2OP 0.5 0.611111
8 LAC 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 : 4JOB; Ligand: TLA; 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: 4job.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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