Receptor
PDB id Resolution Class Description Source Keywords
4PFW 2.2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF MANNOHEXAOSE BOUND OLIGOPEPTIDE ABC TRA PERIPLASMIC OLIGOPEPTIDE-BINDING PROTEIN (TM1226) FROM THERM ARITIMA AT 2.2 A RESOLUTION THERMOTOGA MARITIMA OLIGOPEPTIDE ABC TRANSPORTER PERIPLASMIC OLIGOPEPTIDE-BINDIPROTEIN TRANSPORT PROTEIN
Ref.: DUPLICATION OF GENES IN AN ATP-BINDING CASSETTE TRA SYSTEM INCREASES DYNAMIC RANGE WHILE MAINTAINING LI SPECIFICITY. J.BIOL.CHEM. V. 289 30090 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAN MAN BMA BMA BMA BMA C:1;
D:1;
Valid;
Valid;
none;
none;
Kd = 0.006 uM
n/a n/a
SO4 A:611;
A:610;
A:608;
B:611;
A:609;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
GOL B:610;
B:608;
B:609;
Invalid;
Invalid;
Invalid;
none;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
MG B:601;
A:601;
Part of Protein;
Part of Protein;
none;
none;
submit data
24.305 Mg [Mg+2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4PFW 2.2 Å NON-ENZYME: TRANSPORT CRYSTAL STRUCTURE OF MANNOHEXAOSE BOUND OLIGOPEPTIDE ABC TRA PERIPLASMIC OLIGOPEPTIDE-BINDING PROTEIN (TM1226) FROM THERM ARITIMA AT 2.2 A RESOLUTION THERMOTOGA MARITIMA OLIGOPEPTIDE ABC TRANSPORTER PERIPLASMIC OLIGOPEPTIDE-BINDIPROTEIN TRANSPORT PROTEIN
Ref.: DUPLICATION OF GENES IN AN ATP-BINDING CASSETTE TRA SYSTEM INCREASES DYNAMIC RANGE WHILE MAINTAINING LI SPECIFICITY. J.BIOL.CHEM. V. 289 30090 2014
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 4PFW Kd = 0.006 uM MAN MAN BMA BMA BMA BMA n/a n/a
2 4PFU Kd = 0.67 uM BMA BMA n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 197 families.
1 4PFT Kd = 0.0023 uM BMA BMA n/a n/a
2 4PFY Kd = 0.0044 uM BMA BMA BMA BMA BMA BMA n/a n/a
3 4PFW Kd = 0.006 uM MAN MAN BMA BMA BMA BMA n/a n/a
4 4PFU Kd = 0.67 uM BMA BMA n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 165 families.
1 4PFT Kd = 0.0023 uM BMA BMA n/a n/a
2 4PFY Kd = 0.0044 uM BMA BMA BMA BMA BMA BMA n/a n/a
3 4PFW Kd = 0.006 uM MAN MAN BMA BMA BMA BMA n/a n/a
4 4PFU Kd = 0.67 uM BMA BMA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MAN MAN BMA BMA BMA BMA; Similar ligands found: 0
No: Ligand ECFP6 Tc MDL keys Tc
Similar Ligands (3D)
Ligand no: 1; Ligand: MAN MAN BMA BMA BMA BMA; Similar ligands found: 1
No: Ligand Similarity coefficient
1 MAN MAN BMA BMA BMA BMA 1.0000
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4PFW; Ligand: MAN MAN BMA BMA BMA BMA; 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: 4pfw.bio2) has 35 residues
No: Leader PDB Ligand Sequence Similarity
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