Receptor
PDB id Resolution Class Description Source Keywords
3ZKK 2.2 Å NON-ENZYME: TRANSPORT STRUCTURE OF THE XYLO-OLIGOSACCHARIDE SPECIFIC SOLUTE BINDIN FROM BIFIDOBACTERIUM ANIMALIS SUBSP. LACTIS BL-04 IN COMPLEX YLOTETRAOSE BIFIDOBACTERIUM ANIMALIS SUBSP. LACTISORGANISM_TAXID: 580050 TRANSPORT PROTEIN PROBIOTIC PREBIOTIC ABC TRANSPORT
Ref.: STRUCTURAL BASIS FOR ARABINOXYLO-OLIGOSACCHARIDE CA THE PROBIOTIC BIFIDOBACTERIUM ANIMALIS SUBSP. LACTI MOL.MICROBIOL. V. 90 1100 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
P33 A:1426;
 Invalid;
 none;
 submit data
326.383 C14 H30 O8 C(COC...
XYP XYP XYP XYP B:1;
 Valid;
 none;
 Kd = 0.000000064 M
530.476 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ZKK 2.2 Å NON-ENZYME: TRANSPORT STRUCTURE OF THE XYLO-OLIGOSACCHARIDE SPECIFIC SOLUTE BINDIN FROM BIFIDOBACTERIUM ANIMALIS SUBSP. LACTIS BL-04 IN COMPLEX YLOTETRAOSE BIFIDOBACTERIUM ANIMALIS SUBSP. LACTISORGANISM_TAXID: 580050 TRANSPORT PROTEIN PROBIOTIC PREBIOTIC ABC TRANSPORT
Ref.: STRUCTURAL BASIS FOR ARABINOXYLO-OLIGOSACCHARIDE CA THE PROBIOTIC BIFIDOBACTERIUM ANIMALIS SUBSP. LACTI MOL.MICROBIOL. V. 90 1100 2013
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 232 families.
1 3ZKK Kd = 0.000000064 M XYP XYP XYP XYP n/a n/a
2 4C1U Kd = 81 nM XYP XYP AHR n/a n/a
3 3ZKL Kd = 0.000000064 M XYP XYP XYP n/a n/a
4 4C1T Kd = 70.8 nM XYP XYP XYP AHR 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 3ZKK Kd = 0.000000064 M XYP XYP XYP XYP n/a n/a
2 4C1U Kd = 81 nM XYP XYP AHR n/a n/a
3 3ZKL Kd = 0.000000064 M XYP XYP XYP n/a n/a
4 4C1T Kd = 70.8 nM XYP XYP XYP AHR 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 3ZKK Kd = 0.000000064 M XYP XYP XYP XYP n/a n/a
2 4C1U Kd = 81 nM XYP XYP AHR n/a n/a
3 3ZKL Kd = 0.000000064 M XYP XYP XYP n/a n/a
4 4C1T Kd = 70.8 nM XYP XYP XYP AHR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: XYP XYP XYP XYP; Similar ligands found: 14
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP XYP XYP 1 1
2 XYP XYP 0.840909 0.970588
3 XYP XYP XYP XYP XYP XYP XYP 0.622642 0.941176
4 XYP XYP XYP XYP XYP 0.622642 0.941176
5 XYP XYP XYP XYP XYP XYP 0.622642 0.941176
6 XYP XYP XYP 0.540984 0.914286
7 XYP TRS XYP 0.492063 0.717391
8 XYS XYS XYS 0.491525 0.970588
9 XYS AZI XYS 0.483333 0.627451
10 XYP XIF 0.473684 0.702128
11 XYS AHR XYP XYP XYP 0.458333 0.842105
12 XYP XDN 0.448276 0.75
13 XYP XYP XYP AHR XYP 0.428571 0.842105
14 XYP GCU 0.421875 0.944444
Similar Ligands (3D)
Ligand no: 1; Ligand: XYP XYP XYP XYP; Similar ligands found: 5
No: Ligand Similarity coefficient
1 XYS XYS XYS XYS 0.9766
2 XYS XYP XYP XYP 0.9721
3 BGC BGC BGC BGC 0.8602
4 GS1 SGC BGC SGC 0.8593
5 GLC BGC BGC BGC 0.8547
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ZKK; Ligand: XYP XYP XYP XYP; 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: 3zkk.bio1) has 35 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback