Receptor
PDB id Resolution Class Description Source Keywords
5LOM 1.5 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF THE PBP SOCA FROM AGROBACTERIUM TUMEFAC IN COMPLEX WITH DFG AT 1.5 A RESOLUTION AGROBACTERIUM FABRUM STR. C58 PERIPLASMIC BINDING PROTEIN AMADORI COMPOUND OPINE DFG TPROTEIN
Ref.: STRUCTURAL BASIS FOR HIGH SPECIFICITY OF AMADORI CO AND MANNOPINE OPINE BINDING IN BACTERIAL PATHOGENS. J.BIOL.CHEM. V. 291 22638 2016
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
EDO B:302;
A:303;
A:302;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
SNW A:301;
B:301;
 Valid;
Valid;
 none;
none;
 submit data
308.285 C11 H20 N2 O8 C1[C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5L9O 1.84 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF AGROBACTERIUM TUMEFACIENS C58 STRAIN PB COMPLEX WITH GLUCOPINE AGROBACTERIUM FABRUM (STRAIN C58 / ATCORGANISM_TAXID: 176299 PERIPLASMIC BINDING PROTEIN ABC TRANSPORTER SYNTHETIC OPINTRANSPORT PROTEIN
Ref.: STRUCTURAL BASIS FOR HIGH SPECIFICITY OF AMADORI CO AND MANNOPINE OPINE BINDING IN BACTERIAL PATHOGENS. J.BIOL.CHEM. V. 291 22638 2016
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 5LOM - SNW C11 H20 N2 O8 C1[C@H]([C....
2 5L9O Kd = 4 uM GOP C11 H22 N2 O8 C(CC(=O)N)....
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 5LOM - SNW C11 H20 N2 O8 C1[C@H]([C....
2 5L9O Kd = 4 uM GOP C11 H22 N2 O8 C(CC(=O)N)....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 5LOM - SNW C11 H20 N2 O8 C1[C@H]([C....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SNW; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 SNW 1 1
2 FSA 0.421875 0.627451
3 SOE 0.410714 0.653061
4 BDF 0.410714 0.653061
Similar Ligands (3D)
Ligand no: 1; Ligand: SNW; Similar ligands found: 1
No: Ligand Similarity coefficient
1 GOP 0.9217
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5L9O; Ligand: GOP; 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: 5l9o.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5L9O; Ligand: GOP; 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: 5l9o.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback