Receptor
PDB id Resolution Class Description Source Keywords
6TFQ 2.05 Å NON-ENZYME: TRANSPORT STRUCTURE IN P3212 FORM OF THE PBP/SBP MOAA IN COMPLEX WITH ACID FROM A.TUMEFACIEN R10 RHIZOBIUM RADIOBACTER SOLUTE BINDING PROTEIN PERIPLASMIC BINDING PROTEIN TRANSPOPROTEIN
Ref.: IMPORT PATHWAYS OF THE MANNITYL-OPINES INTO THE BAC PATHOGEN AGROBACTERIUM TUMEFACIENS: STRUCTURAL, AFF IN VIVO APPROACHES. BIOCHEM.J. V. 477 615 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SO4 A:616;
A:613;
A:605;
B:607;
A:608;
A:606;
B:610;
A:609;
B:604;
B:609;
A:610;
B:614;
A:607;
B:605;
B:608;
A:611;
B:612;
A:614;
B:611;
B:603;
B:613;
A:615;
A:604;
A:612;
B:606;
A:603;
 Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
 submit data
96.063 O4 S [O-]S...
N72 A:602;
B:602;
 Valid;
Valid;
 none;
none;
 Kd = 2.1 nM
309.27 C11 H19 N O9 C(CC(...
CL B:615;
A:617;
 Invalid;
Invalid;
 none;
none;
 submit data
35.453 Cl [Cl-]
GLC A:601;
B:601;
 Invalid;
Invalid;
 none;
none;
 submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6TFQ 2.05 Å NON-ENZYME: TRANSPORT STRUCTURE IN P3212 FORM OF THE PBP/SBP MOAA IN COMPLEX WITH ACID FROM A.TUMEFACIEN R10 RHIZOBIUM RADIOBACTER SOLUTE BINDING PROTEIN PERIPLASMIC BINDING PROTEIN TRANSPOPROTEIN
Ref.: IMPORT PATHWAYS OF THE MANNITYL-OPINES INTO THE BAC PATHOGEN AGROBACTERIUM TUMEFACIENS: STRUCTURAL, AFF IN VIVO APPROACHES. BIOCHEM.J. V. 477 615 2020
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 6TFQ Kd = 2.1 nM N72 C11 H19 N O9 C(CC(=O)O)....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 6TFQ Kd = 2.1 nM N72 C11 H19 N O9 C(CC(=O)O)....
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 6TFQ Kd = 2.1 nM N72 C11 H19 N O9 C(CC(=O)O)....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: N72; Similar ligands found: 8
No: Ligand ECFP6 Tc MDL keys Tc
1 N72 1 1
2 N7T 1 1
3 SOL 0.404255 0.611111
4 LPK 0.404255 0.611111
5 FUD 0.404255 0.611111
6 PSJ 0.404255 0.611111
7 TAG 0.404255 0.611111
8 SDD 0.404255 0.611111
Similar Ligands (3D)
Ligand no: 1; Ligand: N72; Similar ligands found: 2
No: Ligand Similarity coefficient
1 MO0 0.9922
2 GOP 0.9170
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6TFQ; Ligand: N72; 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: 6tfq.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6TFQ; Ligand: N72; 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: 6tfq.bio2) has 19 residues
No: Leader PDB Ligand Sequence Similarity
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