Receptor
PDB id Resolution Class Description Source Keywords
4ZED 1.75 Å NON-ENZYME: TRANSPORT PBP ACCA FROM A. TUMEFACIENS C58 IN COMPLEX WITH AGROCINOPIN BENZOATE AGROBACTERIUM TUMEFACIENS (STRAIN C58 33970) PBP CLASS C TRANSPORT PROTEIN
Ref.: A PYRANOSE-2-PHOSPHATE MOTIF IS RESPONSIBLE FOR BOT ANTIBIOTIC IMPORT AND QUORUM-SENSING REGULATION IN AGROBACTERIUM TUMEFACIENS. PLOS PATHOG. V. 11 05071 2015
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AGW A:601;
Valid;
none;
submit data
658.497 C24 H35 O19 P c1ccc...
EDO A:602;
Invalid;
none;
submit data
62.068 C2 H6 O2 C(CO)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RA1 1.75 Å NON-ENZYME: TRANSPORT PBP ACCA FROM A. TUMEFACIENS C58 IN COMPLEX WITH D-GLUCOSE-2 AGROBACTERIUM TUMEFACIENS PERIPLASMIC BINDING PROTEIN C CLUSTER TRANSPORT PROTEIN
Ref.: A PYRANOSE-2-PHOSPHATE MOTIF IS RESPONSIBLE FOR BOT ANTIBIOTIC IMPORT AND QUORUM-SENSING REGULATION IN AGROBACTERIUM TUMEFACIENS. PLOS PATHOG. V. 11 05071 2015
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 4ZEK - LAH C8 H17 O8 P CC(C)OP(=O....
2 4ZEI Kd = 1.33 uM LAO C5 H11 O8 P C1[C@@H]([....
3 4ZED - AGW C24 H35 O19 P c1ccc(cc1)....
4 4RA1 Kd = 0.43 uM BNX C6 H13 O9 P C([C@@H]1[....
5 6I7W Kd = 2 uM H6Z C9 H19 O11 P C[C@@H](C(....
6 4ZEB - ARA TT7 4GL n/a n/a
7 4ZEC - C84 C21 H34 N6 O16 P2 CC(C)[C@@H....
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 4ZEK - LAH C8 H17 O8 P CC(C)OP(=O....
2 4ZEI Kd = 1.33 uM LAO C5 H11 O8 P C1[C@@H]([....
3 4ZED - AGW C24 H35 O19 P c1ccc(cc1)....
4 4RA1 Kd = 0.43 uM BNX C6 H13 O9 P C([C@@H]1[....
5 6I7W Kd = 2 uM H6Z C9 H19 O11 P C[C@@H](C(....
6 4ZEB - ARA TT7 4GL n/a n/a
7 4ZEC - C84 C21 H34 N6 O16 P2 CC(C)[C@@H....
50% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 4ZEK - LAH C8 H17 O8 P CC(C)OP(=O....
2 4ZEI Kd = 1.33 uM LAO C5 H11 O8 P C1[C@@H]([....
3 4ZED - AGW C24 H35 O19 P c1ccc(cc1)....
4 4RA1 Kd = 0.43 uM BNX C6 H13 O9 P C([C@@H]1[....
5 6I7W Kd = 2 uM H6Z C9 H19 O11 P C[C@@H](C(....
6 4ZEB - ARA TT7 4GL n/a n/a
7 4ZEC - C84 C21 H34 N6 O16 P2 CC(C)[C@@H....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AGW; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 AGW 1 1
2 ARA TT7 4GL 0.509434 0.9
Similar Ligands (3D)
Ligand no: 1; Ligand: AGW; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RA1; Ligand: BNX; 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: 4ra1.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 4RA1; Ligand: BNX; 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: 4ra1.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 4RA1; Ligand: ALX; 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: 4ra1.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 4RA1; Ligand: ALX; 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: 4ra1.bio2) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 4RA1; Ligand: BNX; 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: 4ra1.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 4RA1; Ligand: ALX; 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: 4ra1.bio1) has 26 residues
No: Leader PDB Ligand Sequence Similarity
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