Receptor
PDB id Resolution Class Description Source Keywords
6TO0 1.88 Å EC: 3.2.1.156 STRUCTURE OF E70A MUTANT OF REX8A FROM PAENIBACILLUS BARCINO COMPLEXED WITH 2(3)-ALPHA-L-ARABINOFURANOSYL-XYLOTRIOSE. 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
GOL B:401;
A:401;
 Invalid;
Invalid;
 none;
none;
 submit data
92.094 C3 H8 O3 C(C(C...
XYP XYP XYP AHR D:1;
C:1;
 Valid;
Valid;
 none;
none;
 submit data
546.475 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 AHR; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 XYP XYP XYP AHR 1 1
2 XYS XYS AHR 0.903226 1
3 XYP XYP XYP AHR XYP 0.72973 1
4 XYP XYP AHR XYP 0.689189 1
5 XYS AHR XYP XYP XYP 0.684932 1
6 XYP XYP AHR 0.638889 1
7 XYP XYP XYP GCV 0.626506 0.8
8 XYP XYP XYP XYP XYP 0.575758 0.888889
9 XYP XYP XYP XYP XYP XYP 0.575758 0.888889
10 XYP XYP XYP XYP XYP XYP XYP 0.575758 0.888889
11 XYP XYP GCV 0.554217 0.8
12 XYP XYP GCV XYP 0.478261 0.8
13 XYS XYS XYS 0.472222 0.864865
14 BGC BGC XYS GAL 0.458824 0.918919
15 MAN MAN 0.410959 0.864865
16 BGC BGC BGC XYS XYS GAL GAL 0.40625 0.918919
17 BGC BGC XYS XYS GAL 0.40625 0.918919
18 XYP XYP FX3 XYP 0.401709 0.795455
19 MAN BMA BMA 0.4 0.918919
Similar Ligands (3D)
Ligand no: 1; Ligand: XYP XYP XYP AHR; Similar ligands found: 0
No: Ligand Similarity coefficient
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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