Receptor
PDB id Resolution Class Description Source Keywords
5I85 2.5 Å EC: 3.1.4.12 ASMASE WITH ZINC AND PHOSPHOCHOLINE HOMO SAPIENS ACID SPHINGOMYELINASE PHOSPHOCHOLINE HYDROLASE
Ref.: HUMAN ACID SPHINGOMYELINASE STRUCTURES PROVIDE INSI MOLECULAR BASIS OF NIEMANN-PICK DISEASE. NAT COMMUN V. 7 13082 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ZN A:715;
A:714;
Part of Protein;
Part of Protein;
none;
none;
submit data
65.409 Zn [Zn+2...
SO4 A:721;
A:720;
A:718;
A:716;
A:725;
A:717;
A:719;
A:726;
A:723;
A:724;
A:722;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
NAG NAG BMA A:703;
Invalid;
none;
submit data
570.545 n/a O=C(N...
NAG NAG BMA MAN MAN A:706;
Invalid;
none;
submit data
910.826 n/a O=C(N...
PC A:727;
Valid;
none;
submit data
184.151 C5 H15 N O4 P C[N+]...
NAG NAG A:712;
Invalid;
none;
submit data
408.404 n/a O=C(N...
NAG A:702;
A:701;
A:711;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5I85 2.5 Å EC: 3.1.4.12 ASMASE WITH ZINC AND PHOSPHOCHOLINE HOMO SAPIENS ACID SPHINGOMYELINASE PHOSPHOCHOLINE HYDROLASE
Ref.: HUMAN ACID SPHINGOMYELINASE STRUCTURES PROVIDE INSI MOLECULAR BASIS OF NIEMANN-PICK DISEASE. NAT COMMUN V. 7 13082 2016
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5I85 - PC C5 H15 N O4 P C[N+](C)(C....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5I85 - PC C5 H15 N O4 P C[N+](C)(C....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 5I85 - PC C5 H15 N O4 P C[N+](C)(C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: PC; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 PC 1 1
2 OPE 0.518519 0.680851
3 CH5 0.45 0.84
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5I85; Ligand: PC; Similar sites found with APoc: 4
This union binding pocket(no: 1) in the query (biounit: 5i85.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
1 5IHE D5M 2.91595
2 3RL3 5GP 3.94511
3 5KAS PC 45.4333
4 5FCB AMP 47.5751
Pocket No.: 2; Query (leader) PDB : 5I85; Ligand: PC; 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: 5i85.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 5I85; Ligand: PC; 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: 5i85.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 5I85; Ligand: PC; 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: 5i85.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 5I85; Ligand: PC; 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: 5i85.bio2) has 11 residues
No: Leader PDB Ligand Sequence Similarity
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