Receptor
PDB id Resolution Class Description Source Keywords
1LOH 2 Å EC: 4.2.2.1 STREPTOCOCCUS PNEUMONIAE HYALURONATE LYASE IN COMPLEX WITH HEXASACCHARIDE HYALURONAN SUBSTRATE STREPTOCOCCUS PNEUMONIAE PROTEIN-CARBOHYDRATE COMPLEX LYASE
Ref.: MECHANISM OF HYALURONAN DEGRADATION BY STREPTOCOCCU PNEUMONIAE HYALURONATE LYASE. STRUCTURES OF COMPLEX THE SUBSTRATE. J.BIOL.CHEM. V. 277 28287 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG BDP NAG BDP NAG BDP A:2000;
Valid;
none;
submit data
1150.93 n/a O=C(N...
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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: NAG BDP NAG BDP NAG BDP; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG BDP NAG BDP NAG BDP 1 1
2 NAG BDP NAG BDP NAG BDP NAG 0.6875 0.961538
3 NAG BDP NAG BDP 0.603774 0.981132
4 NAG BDP 0.554348 0.903846
5 ASG IDR IDR ASG 0.491071 0.731343
6 ASG BDP GCD NG6 0.47619 0.735294
7 GAL NGA 0.473118 0.865385
8 GAL A2G 0.473118 0.865385
9 A2G GAL 0.473118 0.865385
10 ASG BDP ASG GCD 0.471545 0.746269
11 NGA GCD 0.460784 0.942308
12 GCD NGA 0.460784 0.942308
13 GAD NDG 0.460784 0.942308
14 NAG GAD 0.460784 0.942308
15 GC4 NAG 0.455446 0.867925
16 NAG NGA 0.443299 0.923077
17 NAG A2G 0.443299 0.923077
18 NAG GCU NAG GCD 0.442623 0.962963
19 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.438596 0.923077
20 1GN ACY GAL ACY 1GN BGC GAL BGC 0.438596 0.923077
21 UCD 0.436893 0.923077
22 DR3 0.428571 0.884615
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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