Receptor
PDB id Resolution Class Description Source Keywords
4C1U 2 Å NON-ENZYME: TRANSPORT STRUCTURE OF THE XYLO-OLIGOSACCHARIDE SPECIFIC SOLUTE BINDIN FROM BIFIDOBACTERIUM ANIMALIS SUBSP. LACTIS BL-04 IN COMPLEA RABINOXYLOBIOSE BIFIDOBACTERIUM ANIMALIS SUBSP. LACTISORGANISM_TAXID: 580050 TRANSPORT PROTEIN SOLUTE BINDING PROTEIN PROBIOTIC PREBIOARABINOXYLOBIOSE 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
1PE A:1429;
A:1430;
A:1432;
A:1431;
 Invalid;
Invalid;
Invalid;
Invalid;
 none;
none;
none;
none;
 submit data
238.278 C10 H22 O6 C(COC...
XYP XYP AHR B:1;
 Valid;
 none;
 Kd = 81 nM
414.36 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 AHR; Similar ligands found: 13
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP AHR 1 1
2 XYP XYP AHR XYP 0.7 1
3 XYS XYS AHR 0.671642 1
4 XYP XYP XYP AHR XYP 0.671233 1
5 XYP XYP XYP AHR 0.638889 1
6 XYS AHR XYP XYP XYP 0.56 1
7 XYP XYP AHR FER 0.504951 0.795455
8 XYP XYP XYP XYP XYP 0.484848 0.888889
9 XYP XYP XYP XYP XYP XYP 0.484848 0.888889
10 XYP XYP XYP XYP XYP XYP XYP 0.484848 0.888889
11 MAN MAN 0.447761 0.864865
12 MAN MAN BMA 0.415584 0.918919
13 XYS XYS XYS 0.408451 0.864865
Similar Ligands (3D)
Ligand no: 1; Ligand: XYP XYP AHR; Similar ligands found: 4
No: Ligand Similarity coefficient
1 XYS XYP AHR 0.9503
2 XYP XYP XYP 0.9188
3 XYS XYP XYP 0.9149
4 GK1 0.8637
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
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