Receptor
PDB id Resolution Class Description Source Keywords
5Y02 1.8 Å EC: 4.-.-.- C-TERMINAL PEPTIDE DEPLETED MUTANT OF HYDROXYNITRILE LYASE F PASSIFLORA EDULIS (PEHNL) BOUND WITH (R)-MANDELONITRILE PASSIFLORA EDULIS HYDROXYNITRILE LYASE CYANOHYDRINS LYASE
Ref.: THE CRYSTAL STRUCTURE AND CATALYTIC MECHANISM OF HYDROXYNITRILE LYASE FROM PASSION FRUIT, PASSIFLORA FEBS J. V. 285 313 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HEZ B:201;
E:201;
C:202;
E:202;
I:202;
J:201;
G:201;
H:201;
L:202;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
118.174 C6 H14 O2 C(CCC...
HBX L:201;
I:201;
Valid;
Valid;
none;
none;
submit data
106.122 C7 H6 O c1ccc...
MXN K:201;
F:201;
A:201;
C:201;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
133.147 C8 H7 N O c1ccc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5Y02 1.8 Å EC: 4.-.-.- C-TERMINAL PEPTIDE DEPLETED MUTANT OF HYDROXYNITRILE LYASE F PASSIFLORA EDULIS (PEHNL) BOUND WITH (R)-MANDELONITRILE PASSIFLORA EDULIS HYDROXYNITRILE LYASE CYANOHYDRINS LYASE
Ref.: THE CRYSTAL STRUCTURE AND CATALYTIC MECHANISM OF HYDROXYNITRILE LYASE FROM PASSION FRUIT, PASSIFLORA FEBS J. V. 285 313 2018
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 46 families.
1 5Y02 - HBX C7 H6 O c1ccc(cc1)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 44 families.
1 5Y02 - HBX C7 H6 O c1ccc(cc1)....
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5Y02 - HBX C7 H6 O c1ccc(cc1)....
2 5B09 - 4MX C12 H16 O4 CCCCCc1cc(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: HBX; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 HBX 1 1
Ligand no: 2; Ligand: MXN; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 MNN 1 1
2 MXN 1 1
3 DHR 0.5 0.705882
4 SS1 0.448276 0.615385
5 SS2 0.448276 0.615385
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5Y02; Ligand: MXN; 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: 5y02.bio2) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5Y02; Ligand: HBX; 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: 5y02.bio5) has 12 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5Y02; Ligand: MXN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 5y02.bio1) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5Y02; Ligand: MXN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 5y02.bio3) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5Y02; Ligand: HBX; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 5y02.bio6) has 13 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 5Y02; Ligand: MXN; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 5y02.bio6) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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