Receptor
PDB id Resolution Class Description Source Keywords
6TFX 1.56 Å NON-ENZYME: TRANSPORT STRUCTURE IN P21 FORM OF THE PBP/SBP MOAA IN COMPLEX WITH MA 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
EDO B:603;
B:602;
A:602;
 Invalid;
Invalid;
Invalid;
 none;
none;
none;
 submit data
62.068 C2 H6 O2 C(CO)...
MG B:604;
A:605;
A:604;
B:605;
 Part of Protein;
Part of Protein;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
24.305 Mg [Mg+2...
N72 A:601;
B:601;
 Valid;
Valid;
 none;
none;
 Kd = 2.1 nM
309.27 C11 H19 N O9 C(CC(...
PEG A:603;
 Invalid;
 none;
 submit data
106.12 C4 H10 O3 C(COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6TFX 1.56 Å NON-ENZYME: TRANSPORT STRUCTURE IN P21 FORM OF THE PBP/SBP MOAA IN COMPLEX WITH MA 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 6TFX 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 6TFX 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 6TFX 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 : 6TFX; 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: 6tfx.bio2) has 20 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6TFX; 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: 6tfx.bio1) has 20 residues
No: Leader PDB Ligand Sequence Similarity
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