Receptor
PDB id Resolution Class Description Source Keywords
2FGQ 1.45 Å NON-ENZYME: OTHER HIGH RESOLUTION X-RAY STRUCTURE OF OMP32 IN COMPLEX WITH MAL DELFTIA ACIDOVORANS PORIN MALATE OUTER MEMBRANE PROTEIN MEMBRANE PROTEIN
Ref.: HIGH RESOLUTION CRYSTAL STRUCTURES AND MOLECULAR DY STUDIES REVEAL SUBSTRATE BINDING IN THE PORIN OMP32 J.BIOL.CHEM. V. 281 7413 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BOG X:1170;
Invalid;
none;
submit data
292.369 C14 H28 O6 CCCCC...
CA X:501;
X:502;
X:503;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
MLT X:700;
Valid;
none;
submit data
134.087 C4 H6 O5 C([C@...
SO4 X:600;
X:601;
Invalid;
Invalid;
none;
none;
submit data
96.063 O4 S [O-]S...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2FGQ 1.45 Å NON-ENZYME: OTHER HIGH RESOLUTION X-RAY STRUCTURE OF OMP32 IN COMPLEX WITH MAL DELFTIA ACIDOVORANS PORIN MALATE OUTER MEMBRANE PROTEIN MEMBRANE PROTEIN
Ref.: HIGH RESOLUTION CRYSTAL STRUCTURES AND MOLECULAR DY STUDIES REVEAL SUBSTRATE BINDING IN THE PORIN OMP32 J.BIOL.CHEM. V. 281 7413 2006
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1443 families.
1 2FGR - ASP ASN TRP GLN ASN GLY THR SER n/a n/a
2 1E54 - ASP ASN TRP GLN ASN GLY THR SER n/a n/a
3 2FGQ - MLT C4 H6 O5 C([C@H](C(....
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1205 families.
1 2FGR - ASP ASN TRP GLN ASN GLY THR SER n/a n/a
2 1E54 - ASP ASN TRP GLN ASN GLY THR SER n/a n/a
3 2FGQ - MLT C4 H6 O5 C([C@H](C(....
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1039 families.
1 2FGR - ASP ASN TRP GLN ASN GLY THR SER n/a n/a
2 1E54 - ASP ASN TRP GLN ASN GLY THR SER n/a n/a
3 2FGQ - MLT C4 H6 O5 C([C@H](C(....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: MLT; Similar ligands found: 12
No: Ligand ECFP6 Tc MDL keys Tc
1 LMR 1 1
2 MLT 1 1
3 DMR 1 1
4 DGY 0.52381 0.818182
5 3HG 0.52381 0.761905
6 3HL 0.5 0.666667
7 3HR 0.5 0.666667
8 TRC 0.478261 0.666667
9 S2G 0.461538 0.809524
10 2HG 0.461538 0.809524
11 2RH 0.458333 0.652174
12 ICT 0.444444 0.904762
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2FGQ; Ligand: MLT; 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: 2fgq.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 2FGQ; Ligand: MLT; 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: 2fgq.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 2FGQ; Ligand: MLT; 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: 2fgq.bio1) has 8 residues
No: Leader PDB Ligand Sequence Similarity
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