Receptor
PDB id Resolution Class Description Source Keywords
3ZKL 2.4 Å NON-ENZYME: TRANSPORT STRUCTURE OF THE XYLO-OLIGOSACCHARIDE SPECIFIC SOLUTE BINDIN FROM BIFIDOBACTERIUM ANIMALIS SUBSP. LACTIS BL-04 IN COMPLEX YLOTRIOSE 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
XYP XYP XYP B:1;
 Valid;
 none;
 Kd = 0.000000064 M
412.344 n/a O=C1C...
1PE A:1427;
A:1426;
 Invalid;
Invalid;
 none;
none;
 submit data
238.278 C10 H22 O6 C(COC...
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; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP XYP 1 1
2 XYP XYP XYP XYP XYP XYP XYP 0.559322 0.969697
3 XYP XYP XYP XYP XYP XYP 0.559322 0.969697
4 XYP XYP XYP XYP XYP 0.559322 0.969697
5 XYP XYP XYP XYP 0.540984 0.914286
6 XYP TRS XYP 0.470588 0.695652
7 XYS AZI XYS 0.461538 0.64
8 XYS XYS XYS 0.446154 0.941176
9 XYS NPO XYS 0.445946 0.603774
10 XYS AHR XYP XYP XYP 0.441558 0.864865
11 XYS GLC GLC 0.426667 0.914286
12 XIL 0.426471 0.702128
13 XDL XYP 0.426471 0.702128
14 XYP XYP 0.42623 0.885714
15 XYP XYP XYP AHR XYP 0.414634 0.864865
Similar Ligands (3D)
Ligand no: 1; Ligand: XYP XYP XYP; Similar ligands found: 17
No: Ligand Similarity coefficient
1 XYS XYP XYP 0.9664
2 XYP XYP AHR 0.9188
3 XYS XYP AHR 0.9027
4 Z4U TWY TWY 0.9006
5 C19 0.8959
6 B8O 0.8883
7 BGC BGC BGC 0.8869
8 GLC BGC BGC 0.8853
9 GCS GCS GCS 0.8773
10 WTI 0.8728
11 DLK 0.8699
12 38O 0.8678
13 2YO 0.8673
14 SQO 0.8667
15 CR9 0.8658
16 2YM 0.8629
17 MKP 0.8525
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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