Receptor
PDB id Resolution Class Description Source Keywords
4ZEI 2.3 Å NON-ENZYME: TRANSPORT PBP ACCA FROM A. TUMEFACIENS C58 IN COMPLEX WITH L-ARABINOSE PHOSPHATE AGROBACTERIUM TUMEFACIENS 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
LAO A:601;
Valid;
none;
Kd = 1.64 uM
230.11 C5 H11 O8 P C1[C@...
EDO A:606;
A:605;
A:604;
A:602;
A:603;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
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
4ZEI 2.3 Å NON-ENZYME: TRANSPORT PBP ACCA FROM A. TUMEFACIENS C58 IN COMPLEX WITH L-ARABINOSE PHOSPHATE AGROBACTERIUM TUMEFACIENS 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
Members (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 199 families.
1 4ZEK - LAH C8 H17 O8 P CC(C)OP(=O....
2 4ZEI Kd = 1.64 uM LAO C5 H11 O8 P C1[C@@H]([....
3 4ZED - AGW C24 H35 O19 P c1ccc(cc1)....
4 4RA1 Kd = 1.64 uM BNX C6 H13 O9 P C([C@@H]1[....
5 4ZEB - AGR C17 H31 O18 P C1[C@@H]([....
6 4ZEC - C84 C21 H34 N6 O16 P2 CC(C)[C@@H....
70% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 166 families.
1 4ZEK - LAH C8 H17 O8 P CC(C)OP(=O....
2 4ZEI Kd = 1.64 uM LAO C5 H11 O8 P C1[C@@H]([....
3 4ZED - AGW C24 H35 O19 P c1ccc(cc1)....
4 4RA1 Kd = 1.64 uM BNX C6 H13 O9 P C([C@@H]1[....
5 4ZEB - AGR C17 H31 O18 P C1[C@@H]([....
6 4ZEC - C84 C21 H34 N6 O16 P2 CC(C)[C@@H....
50% Homology Family (6)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 141 families.
1 4ZEK - LAH C8 H17 O8 P CC(C)OP(=O....
2 4ZEI Kd = 1.64 uM LAO C5 H11 O8 P C1[C@@H]([....
3 4ZED - AGW C24 H35 O19 P c1ccc(cc1)....
4 4RA1 Kd = 1.64 uM BNX C6 H13 O9 P C([C@@H]1[....
5 4ZEB - AGR C17 H31 O18 P C1[C@@H]([....
6 4ZEC - C84 C21 H34 N6 O16 P2 CC(C)[C@@H....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: LAO; Similar ligands found: 3
No: Ligand ECFP6 Tc MDL keys Tc
1 LAO 1 1
2 LAH 0.586957 0.902439
3 X1P 0.431818 0.974359
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4ZEI; Ligand: LAO; Similar sites found: 6
This union binding pocket(no: 1) in the query (biounit: 4zei.bio1) has 30 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1O9W NAG 0.02666 0.41436 1.69492
2 5MRH Q9Z 0.006495 0.4399 3.00601
3 2GL0 ADN 0.01819 0.42107 4.19162
4 4ONT SIA GAL BGC 0.04238 0.40759 5.04732
5 4RHS SIA SIA GAL 0.009302 0.45211 12.2951
6 4JX1 CAM 0.04603 0.4018 21.2389
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