Receptor
PDB id Resolution Class Description Source Keywords
3AJ4 1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE PH DOMAIN OF EVECTIN-2 FROM HUMAN C WITH O-PHOSPHO-L-SERINE HOMO SAPIENS ANTIPARALLEL BETA SHEET PROTEIN TRANSPORT
Ref.: INTRACELLULAR PHOSPHATIDYLSERINE IS ESSENTIAL FOR R MEMBRANE TRAFFIC THROUGH ENDOSOMES PROC.NATL.ACAD.SCI.USA V. 108 15846 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO A:112;
B:111;
B:112;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
62.068 C2 H6 O2 C(CO)...
SEP A:111;
Valid;
none;
submit data
185.072 C3 H8 N O6 P C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3AJ4 1 Å NON-ENZYME: OTHER CRYSTAL STRUCTURE OF THE PH DOMAIN OF EVECTIN-2 FROM HUMAN C WITH O-PHOSPHO-L-SERINE HOMO SAPIENS ANTIPARALLEL BETA SHEET PROTEIN TRANSPORT
Ref.: INTRACELLULAR PHOSPHATIDYLSERINE IS ESSENTIAL FOR R MEMBRANE TRAFFIC THROUGH ENDOSOMES PROC.NATL.ACAD.SCI.USA V. 108 15846 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 3AJ4 - SEP C3 H8 N O6 P C([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 1205 families.
1 3AJ4 - SEP C3 H8 N O6 P C([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 1039 families.
1 3AJ4 - SEP C3 H8 N O6 P C([C@@H](C....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: SEP; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 SEP 1 1
2 3PG 0.515152 0.74359
3 4TP 0.513514 0.833333
4 GSE 0.512195 0.833333
5 DG2 0.459459 0.675
6 DEZ 0.459459 0.707317
7 DER 0.459459 0.707317
8 RGP 0.45 0.871795
9 R10 0.425 0.707317
10 PA5 0.425 0.707317
11 PGA 0.40625 0.710526
12 OSE 0.405405 0.733333
13 LG6 0.404762 0.707317
14 6PG 0.404762 0.707317
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3AJ4; Ligand: SEP; 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: 3aj4.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
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