Receptor
PDB id Resolution Class Description Source Keywords
1LXM 2.2 Å EC: 4.2.2.1 CRYSTAL STRUCTURE OF STREPTOCOCCUS AGALACTIAE HYALURONATE LY COMPLEXED WITH HEXASACCHARIDE UNIT OF HYALURONAN STREPTOCOCCUS AGALACTIAE STREPTOCOCCUS AGALACTIAE PROTEIN-CARBOHYDRATE COMPLEX HYALLYASE
Ref.: STRUCTURE AND FLEXIBILITY OF STREPTOCOCCUS AGALACTI HYALURONATE LYASE COMPLEX WITH ITS SUBSTRATE. INSIG THE MECHANISM OF PROCESSIVE DEGRADATION OF HYALURON J.BIOL.CHEM. V. 277 36678 2002
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NAG BDP NAG BDP NAG BDP B:1;
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
1LXM 2.2 Å EC: 4.2.2.1 CRYSTAL STRUCTURE OF STREPTOCOCCUS AGALACTIAE HYALURONATE LY COMPLEXED WITH HEXASACCHARIDE UNIT OF HYALURONAN STREPTOCOCCUS AGALACTIAE STREPTOCOCCUS AGALACTIAE PROTEIN-CARBOHYDRATE COMPLEX HYALLYASE
Ref.: STRUCTURE AND FLEXIBILITY OF STREPTOCOCCUS AGALACTI HYALURONATE LYASE COMPLEX WITH ITS SUBSTRATE. INSIG THE MECHANISM OF PROCESSIVE DEGRADATION OF HYALURON J.BIOL.CHEM. V. 277 36678 2002
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1LXM - NAG BDP NAG BDP NAG BDP n/a n/a
2 1I8Q - NAG GC4 n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 1LXM - NAG BDP NAG BDP NAG BDP n/a n/a
2 1I8Q - NAG GC4 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 - NAG GC4 n/a n/a
3 1LXK - NAG BDP NAG BDP n/a n/a
4 1OJM - NGA GCD n/a n/a
5 1W3Y ic50 = 100 uM PVC C22 H40 O8 CCCCCCCCCC....
6 1C82 - NAG GCD 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 - NG6 GCD n/a n/a
11 1OJO - ASG GCD n/a n/a
12 1OJP - NG6 GCD n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NAG BDP NAG BDP NAG BDP; Similar ligands found: 18
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 ASG IDR 0.491071 0.731343
6 NG6 BDP ASG GCD 0.47619 0.735294
7 A2G GAL 0.473118 0.865385
8 ASG BDP ASG GCD 0.471545 0.746269
9 NAG FUC 0.463158 0.865385
10 NAG GAD 0.460784 0.942308
11 NAG GC4 0.455446 0.867925
12 A2G NAG 0.443299 0.923077
13 NAG GCU NAG GCD 0.442623 0.962963
14 1GN ACY GAL 1GN BGC ACY GAL BGC 0.438596 0.923077
15 NAG GAL FUC 0.428571 0.884615
16 GNS IDR GNS IDR GNS IDR GNS IDR 0.413793 0.642857
17 BGC GAL NGA GAL 0.411215 0.865385
18 NAG GAL GLC NAG GLC RAM 0.40708 0.923077
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG BDP NAG BDP NAG BDP; 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 : 1LXM; Ligand: NAG BDP NAG BDP NAG BDP; 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: 1lxm.bio1) has 22 residues
No: Leader PDB Ligand Sequence Similarity
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