Receptor
PDB id Resolution Class Description Source Keywords
1I8Q 2.2 Å EC: 4.2.2.1 CRYSTAL STRUCTURE OF STREPTOCOCCUS AGALACTIAE HYALURONATE LY COMPLEXED WITH ENZYME PRODUCT, UNSATURATED DISACCHARIDE HYA STREPTOCOCCUS AGALACTIAE BETA-ALPHA-BETA LYASE
Ref.: HYALURONAN BINDING AND DEGRADATION BY STREPTOCOCCUS AGALACTIAE HYALURONATE LYASE. J.BIOL.CHEM. V. 276 41407 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GC4 NAG A:1001;
A:1003;
Valid;
Valid;
none;
none;
submit data
380.326 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 - GC4 NAG 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 - GC4 NAG 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: GC4 NAG; Similar ligands found: 30
No: Ligand ECFP6 Tc MDL keys Tc
1 GC4 NAG 1 1
2 ASG GCD 0.684211 0.730159
3 NAG BDP 0.657143 0.958333
4 A2G GAL 0.617647 0.916667
5 GAL NGA 0.617647 0.916667
6 GAL A2G 0.617647 0.916667
7 ASG BDP GCD NG6 0.558824 0.712121
8 NAG A2G 0.547945 0.9
9 NAG NGA 0.547945 0.9
10 NAG GAD 0.525 0.92
11 GAD NDG 0.525 0.92
12 NGA GCD 0.525 0.92
13 GCD NGA 0.525 0.92
14 NAG BDP NAG BDP NAG BDP NAG 0.516854 0.901961
15 DR3 0.5 0.897959
16 UCD 0.493827 0.9
17 NAG BDP NAG BDP 0.489583 0.851852
18 AMU 0.465753 0.875
19 SIA GAL A2G 0.46 0.903846
20 NGA GAL SIA 0.46 0.903846
21 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.457447 0.9
22 1GN ACY GAL ACY 1GN BGC GAL BGC 0.457447 0.9
23 NAG BDP NAG BDP NAG BDP 0.455446 0.867925
24 NAG A2G GAL 0.448276 0.9
25 LGU MAV BEM 0.419753 0.632653
26 SIA 2FG NAG 0.415094 0.839286
27 GAL MGC 0.410256 0.88
28 GAL NGA A2G 0.4 0.9
29 NAG GAL 0.4 0.916667
30 GAL NAG 0.4 0.916667
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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