Receptor
PDB id Resolution Class Description Source Keywords
1US2 1.85 Å EC: 3.2.1.8 XYLANASE10C (MUTANT E385A) FROM CELLVIBRIO JAPONICUS IN COMP XYLOPENTAOSE CELLVIBRIO JAPONICUS HYDROLASE CARBOHYDRATE BINDING MODULE XYLAN DEGRADATION
Ref.: STRUCTURAL AND BIOCHEMICAL ANALYSIS OF CELLVIBRIO J XYLANASE 10C: HOW VARIATION IN SUBSTRATE-BINDING CL INFLUENCES THE CATALYTIC PROFILE OF FAMILY GH-10 XY J.BIOL.CHEM. V. 279 11777 2004
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XYP XYP XYP XYP B:1;
C: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
1US2 1.85 Å EC: 3.2.1.8 XYLANASE10C (MUTANT E385A) FROM CELLVIBRIO JAPONICUS IN COMP XYLOPENTAOSE CELLVIBRIO JAPONICUS HYDROLASE CARBOHYDRATE BINDING MODULE XYLAN DEGRADATION
Ref.: STRUCTURAL AND BIOCHEMICAL ANALYSIS OF CELLVIBRIO J XYLANASE 10C: HOW VARIATION IN SUBSTRATE-BINDING CL INFLUENCES THE CATALYTIC PROFILE OF FAMILY GH-10 XY J.BIOL.CHEM. V. 279 11777 2004
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 1US2 - XYP 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 32 families.
1 1US2 - XYP 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 19 families.
1 1US2 - 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 : 1US2; Ligand: XYP XYP XYP XYP; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 1us2.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
1 4PMZ XYP XYP 41.2541
2 5D4Y XYP XYP 49.2958
Pocket No.: 2; Query (leader) PDB : 1US2; 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: 2) in the query (biounit: 1us2.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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