Receptor
PDB id Resolution Class Description Source Keywords
4QPW 1.14 Å EC: 3.-.-.- BIXYN10A CBM1 WITH XYLOHEXAOSE BOUND BACTEROIDES INTESTINALIS DSM 17393 CARBOHYDRATE-BINDING MODULE (CBM) HYDROLASE
Ref.: XYLAN UTILIZATION IN HUMAN GUT COMMENSAL BACTERIA I ORCHESTRATED BY UNIQUE MODULAR ORGANIZATION OF POLYSACCHARIDE-DEGRADING ENZYMES. PROC.NATL.ACAD.SCI.USA V. 111 E3708 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XYP XYP XYP B:1;
 Valid;
 none;
 submit data
412.344 n/a O=C1C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4QPW 1.14 Å EC: 3.-.-.- BIXYN10A CBM1 WITH XYLOHEXAOSE BOUND BACTEROIDES INTESTINALIS DSM 17393 CARBOHYDRATE-BINDING MODULE (CBM) HYDROLASE
Ref.: XYLAN UTILIZATION IN HUMAN GUT COMMENSAL BACTERIA I ORCHESTRATED BY UNIQUE MODULAR ORGANIZATION OF POLYSACCHARIDE-DEGRADING ENZYMES. PROC.NATL.ACAD.SCI.USA V. 111 E3708 2014
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 312 families.
1 4QPW - XYP XYP XYP n/a n/a
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 261 families.
1 4QPW - XYP XYP XYP n/a n/a
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 214 families.
1 4QPW - XYP XYP XYP 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 : 4QPW; Ligand: 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: 4qpw.bio1) has 7 residues
No: Leader PDB Ligand Sequence Similarity
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