Receptor
PDB id Resolution Class Description Source Keywords
6TOW 2.05 Å EC: 3.2.1.156 STRUCTURE OF E70A MUTANT OF REX8A FROM PAENIBACILLUS BARCINO COMPLEXED WITH XYLOTETRAOSE. PAENIBACILLUS BARCINONENSIS XYLAN EXO-OLIGOXYLANASE XYLANASES XYLOOLIGOSACCHARIDES XYLOOLIGOMERS XYLOSE HYDROLYSIS POLYSACCHARIDES GLYCANDEGRADATION XYLAN DEGRADATION GLYCOSIDASE HYDROLASE CARMETABOLISM.
Ref.: STRUCTURAL ANALYSIS OF THE REDUCING-END XYLOSE-RELE EXO-OLIGOXYLANASE REX8A FROM PAENIBACILLUS BARCINON BP-23 DECIPHERS ITS MOLECULAR SPECIFICITY. FEBS J. V. 287 5362 2020
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XYP XYP XYP XYP C:1;
D:1;
 Valid;
Valid;
 none;
none;
 submit data
530.476 n/a O(C1C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6SUD 1.74 Å EC: 3.2.1.156 STRUCTURE OF L320A MUTANT OF REX8A FROM PAENIBACILLUS BARCIN COMPLEXED WITH XYLOSE. PAENIBACILLUS BARCINONENSIS XYLAN EXO-OLIGOXYLANASE XYLANASES XYLOOLIGOSACCHARIDES XYLOOLIGOMERS XYLOSE HYDROLYSIS POLYSACCHARIDES GLYCANDEGRADATION XYLAN DEGRADATION GLYCOSIDASE HYDROLASE CARMETABOLISM.
Ref.: STRUCTURAL ANALYSIS OF THE REDUCING-END XYLOSE-RELE EXO-OLIGOXYLANASE REX8A FROM PAENIBACILLUS BARCINON BP-23 DECIPHERS ITS MOLECULAR SPECIFICITY. FEBS J. V. 287 5362 2020
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 6TO0 - XYP XYP XYP AHR n/a n/a
2 6SRD - XYP C5 H10 O5 C1[C@H]([C....
3 6SUD - XYP C5 H10 O5 C1[C@H]([C....
4 6TOW - XYP XYP XYP XYP n/a n/a
5 6TRH - XYP XYP XYP AHR XYP n/a n/a
70% Homology Family (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6TO0 - XYP XYP XYP AHR n/a n/a
2 6SRD - XYP C5 H10 O5 C1[C@H]([C....
3 6SUD - XYP C5 H10 O5 C1[C@H]([C....
4 6TOW - XYP XYP XYP XYP n/a n/a
5 6TRH - XYP XYP XYP AHR XYP n/a n/a
6 1WU6 - XYP XYP n/a n/a
7 1WU5 - XYP C5 H10 O5 C1[C@H]([C....
50% Homology Family (13)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6TO0 - XYP XYP XYP AHR n/a n/a
2 6SRD - XYP C5 H10 O5 C1[C@H]([C....
3 6SUD - XYP C5 H10 O5 C1[C@H]([C....
4 6TOW - XYP XYP XYP XYP n/a n/a
5 6TRH - XYP XYP XYP AHR XYP n/a n/a
6 1H12 - XYS C5 H10 O5 C1[C@H]([C....
7 2B4F - XYP XYP XYP XYP XYP n/a n/a
8 1XWQ - XYP XYP XYP n/a n/a
9 1WU6 - XYP XYP n/a n/a
10 1WU5 - XYP C5 H10 O5 C1[C@H]([C....
11 6G09 - XYP XYP n/a n/a
12 6G0B - XYP XYP XYP n/a n/a
13 6G0N - XYP XYP XYP XYP XYP XYP 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 : 6SUD; Ligand: 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: 6sud.bio2) has 22 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 6SUD; Ligand: XYP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 6sud.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 6SUD; Ligand: XYP; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 6sud.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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