Receptor
PDB id Resolution Class Description Source Keywords
1F9G 2 Å EC: 4.2.2.1 CRYSTAL STRUCTURE OF STREPTOCOCCUS PNEUMONIAE HYALURONATE LYASE COCRYSTALLIZED WITH ASCORBIC ACID STREPTOCOCCUS PNEUMONIAE ASCORBIC ACID BINDS TO THE INDOLE GROUP OF TRP292 TRANSMEMBRANE SIGNAL LYASE
Ref.: VITAMIN C INHIBITS THE ENZYMATIC ACTIVITY OF STREPTOCOCCUS PNEUMONIAE HYALURONATE LYASE. J.BIOL.CHEM. V. 276 15125 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASC A:950;
Valid;
none;
Ki = 53 mM
176.124 C6 H8 O6 C([C@...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W3Y 1.65 Å EC: 4.2.2.1 CRYSTAL STRUCTURE OF S. PNEUMONIAE HYALURONATE LYASE IN COMPLEX WITH PALMITOYL-VITAMIN C STREPTOCOCCUS PNEUMONIAE (ALFA5/ALFA5) BARREL LYASE PEPTIDOGLYCAN-ANCHOR
Ref.: L-ASCORBIC ACID 6-HEXADECANOATE, A POTENT HYALURONIDASE INHIBITOR: X-RAY STRUCTURE AND MOLECULAR MODELING OF ENZYME-INHIBITOR COMPLEXES J.BIOL.CHEM. V. 279 45990 2004
Members (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1LXK - NAG BDP NAG BDP n/a n/a
2 1OJM - GCD NGA n/a n/a
3 1W3Y ic50 = 100 uM PVC C22 H40 O8 CCCCCCCCCC....
4 1C82 - DGC NAG n/a n/a
5 2BRP ic50 > 100 uM SIE C24 H33 N3 O6 S2 CCCCCCCCCC....
6 1LOH - NAG BDP NAG BDP NAG BDP n/a n/a
7 1F9G Ki = 53 mM ASC C6 H8 O6 C([C@@H]([....
8 1OJN - GCD NG6 n/a n/a
9 1OJO - GCD ASG n/a n/a
10 1OJP - GCD NG6 n/a n/a
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1LXK - NAG BDP NAG BDP n/a n/a
2 1OJM - GCD NGA n/a n/a
3 1W3Y ic50 = 100 uM PVC C22 H40 O8 CCCCCCCCCC....
4 1C82 - DGC NAG n/a n/a
5 2BRP ic50 > 100 uM SIE C24 H33 N3 O6 S2 CCCCCCCCCC....
6 1LOH - NAG BDP NAG BDP NAG BDP n/a n/a
7 1F9G Ki = 53 mM ASC C6 H8 O6 C([C@@H]([....
8 1OJN - GCD NG6 n/a n/a
9 1OJO - GCD ASG n/a n/a
10 1OJP - GCD NG6 n/a n/a
50% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1LXM - NAG BDP NAG BDP NAG BDP n/a n/a
2 1I8Q - GC4 NAG n/a n/a
3 1LXK - NAG BDP NAG BDP n/a n/a
4 1OJM - GCD NGA n/a n/a
5 1W3Y ic50 = 100 uM PVC C22 H40 O8 CCCCCCCCCC....
6 1C82 - DGC NAG n/a n/a
7 2BRP ic50 > 100 uM SIE C24 H33 N3 O6 S2 CCCCCCCCCC....
8 1LOH - NAG BDP NAG BDP NAG BDP n/a n/a
9 1F9G Ki = 53 mM ASC C6 H8 O6 C([C@@H]([....
10 1OJN - GCD NG6 n/a n/a
11 1OJO - GCD ASG n/a n/a
12 1OJP - GCD NG6 n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASC; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 ASC 1 1
2 ISD 1 1
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1W3Y; Ligand: PVC; 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: 1w3y.bio1) has 37 residues
No: Leader PDB Ligand Sequence Similarity
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