Receptor
PDB id Resolution Class Description Source Keywords
6rs9 1.4 Å NON-ENZYME: OTHER X-RAY CRYSTAL STRUCTURE OF LSAA9B (XYLOTETRAOSE SOAK) LENTINUS SIMILIS FUNGAL FAMILY AA9 UNKNOWN FUNCTION
Ref.: INSIGHTS INTO AN UNUSUAL AUXILIARY ACTIVITY 9 FAMIL LACKING THE HISTIDINE BRACE MOTIF OF LYTIC POLYSACC MONOOXYGENASES. J.BIOL.CHEM. V. 294 17117 2019
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
XYP XYP XYP XYP C:1;
 Valid;
 none;
 submit data
530.476 n/a O(C1C...
NAG NAG B:1;
 Invalid;
 none;
 submit data
408.404 n/a O=C(N...
BCN A:308;
 Invalid;
 none;
 submit data
163.172 C6 H13 N O4 C(CO)...
MAN A:303;
 Invalid;
 none;
 submit data
180.156 C6 H12 O6 C([C@...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6RS9 1.4 Å NON-ENZYME: OTHER X-RAY CRYSTAL STRUCTURE OF LSAA9B (XYLOTETRAOSE SOAK) LENTINUS SIMILIS FUNGAL FAMILY AA9 UNKNOWN FUNCTION
Ref.: INSIGHTS INTO AN UNUSUAL AUXILIARY ACTIVITY 9 FAMIL LACKING THE HISTIDINE BRACE MOTIF OF LYTIC POLYSACC MONOOXYGENASES. J.BIOL.CHEM. V. 294 17117 2019
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 6RS9 - 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 1331 families.
1 6RS9 - 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 1144 families.
1 6RS9 - 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 : 6RS9; 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: 6rs9.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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