Receptor
PDB id Resolution Class Description Source Keywords
5TE1 2.25 Å EC: 2.3.3.8 C20S, C293G MUTANT N-TERMINAL HUMAN ATP CITRATE LYASE BOUND HYDROXYCITRATE HOMO SAPIENS ATP GRASP DOMAIN 4R HYDROXYCITRATE TRANSFERASE
Ref.: BINDING OF HYDROXYCITRATE TO HUMAN ATP-CITRATE LYAS ACTA CRYSTALLOGR D STRUCT V. 73 660 2017 BIOL
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA B:903;
A:903;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
PO4 B:902;
A:902;
Invalid;
Invalid;
none;
none;
submit data
94.971 O4 P [O-]P...
7A2 A:901;
B:901;
Valid;
Valid;
none;
none;
submit data
208.123 C6 H8 O8 C(C(=...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5TE1 2.25 Å EC: 2.3.3.8 C20S, C293G MUTANT N-TERMINAL HUMAN ATP CITRATE LYASE BOUND HYDROXYCITRATE HOMO SAPIENS ATP GRASP DOMAIN 4R HYDROXYCITRATE TRANSFERASE
Ref.: BINDING OF HYDROXYCITRATE TO HUMAN ATP-CITRATE LYAS ACTA CRYSTALLOGR D STRUCT V. 73 660 2017 BIOL
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5TE1 - 7A2 C6 H8 O8 C(C(=O)O)[....
2 3PFF - TLA C4 H6 O6 [C@@H]([C@....
3 5TEQ - FLC C6 H5 O7 C(C(=O)[O-....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 5TE1 - 7A2 C6 H8 O8 C(C(=O)O)[....
2 3PFF - TLA C4 H6 O6 [C@@H]([C@....
3 5TEQ - FLC C6 H5 O7 C(C(=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 2 families.
1 5TE1 - 7A2 C6 H8 O8 C(C(=O)O)[....
2 3PFF - TLA C4 H6 O6 [C@@H]([C@....
3 5TEQ - FLC C6 H5 O7 C(C(=O)[O-....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: 7A2; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 7A2 1 1
2 7A3 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5TE1; Ligand: 7A2; 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: 5te1.bio2) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5TE1; Ligand: 7A2; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 5te1.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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