Receptor
PDB id Resolution Class Description Source Keywords
6PU3 1.8 Å NON-ENZYME: BINDING ABC TRANSPORTER-ASSOCIATED PERIPLASMIC BINDING PROTEIN DPPA HELICOBACTER PYLORI HELICOBACTER PYLORI DPPA TYPE II PERIPLASMIC BINDING PROTEIN PERIPLASMIC PEPTBINDING PROTEIN TRANSPORT PROTEIN
Ref.: MOLECULAR BASIS OF UNEXPECTED SPECIFICITY OF ABC TRANSPORTER-ASSOCIATED SUBSTRATE-BINDING PROTEIN DP HELICOBACTER PYLORI. J.BACTERIOL. V. 201 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
SER THR SER ALA B:1;
 Valid;
 none;
 Kd = 7.06 uM
364.355 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6OFQ 1.45 Å NON-ENZYME: BINDING ABC TRANSPORTER-ASSOCIATED PERIPLASMIC BINDING PROTEIN DPPA HELICOBACTER PYLORI IN COMPLEX WITH PEPTIDE STSA HELICOBACTER PYLORI SS1 DPPA TYPE II PERIPLASMIC BINDING PROTEIN PERIPLASMIC PEPTBINDING PROTEIN
Ref.: MOLECULAR BASIS OF UNEXPECTED SPECIFICITY OF ABC TRANSPORTER-ASSOCIATED SUBSTRATE-BINDING PROTEIN DP HELICOBACTER PYLORI. J.BACTERIOL. V. 201 2019
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 6PU3 Kd = 7.06 uM SER THR SER ALA n/a n/a
2 6OFQ Kd = 7.06 uM SER THR SER ALA n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 6PU3 Kd = 7.06 uM SER THR SER ALA n/a n/a
2 6OFQ Kd = 7.06 uM SER THR SER ALA n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 3M8U Kd = 12.9 uM GDS C20 H32 N6 O12 S2 C(CC(=O)N[....
2 6PU3 Kd = 7.06 uM SER THR SER ALA n/a n/a
3 6OFQ Kd = 7.06 uM SER THR SER ALA n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: SER THR SER ALA; Similar ligands found: 16
No: Ligand ECFP6 Tc MDL keys Tc
1 SER THR SER ALA 1 1
2 ALA ALA ALA ALA SER ALA ALA 0.508197 0.948718
3 TYR SER ALA 0.507463 0.822222
4 SER SER VAL THR 0.5 0.95
5 THR ILE THR SER 0.476923 0.928571
6 ALA THR ALA ALA 0.474576 0.794872
7 LYS GLN THR SER VAL 0.472222 0.906977
8 ASN SER THR LEU GLN 0.455696 0.886364
9 VAL THR SER VAL VAL 0.454545 0.925
10 LYS THR LYS 0.441176 0.8
11 SER LEU ALA ASN THR VAL ALA THR LEU 0.431818 0.906977
12 SER LEU TYR LEU THR VAL ALA THR LEU 0.40625 0.829787
13 SER SER SER SER 0.403226 0.897436
14 ALA SER VAL SER ALA 0.402985 0.925
15 SER THR CYS PRO ALA ALA 0.4 0.666667
16 LYS THR LYS LEU LEU 0.4 0.787234
Similar Ligands (3D)
Ligand no: 1; Ligand: SER THR SER ALA; Similar ligands found: 3
No: Ligand Similarity coefficient
1 ALA VAL PRO ALA 0.8951
2 ALA ALA ALA ALA 0.8930
3 ALA ILE ALA VAL 0.8782
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6OFQ; Ligand: SER THR SER ALA; 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: 6ofq.bio2) has 17 residues
No: Leader PDB Ligand Sequence Similarity
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