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
NAG GC4 C:1;
B:1;
 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 - 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 GC4; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG GC4 1 1
2 ASG GC4 0.684211 0.730159
3 NAG BDP 0.657143 0.958333
4 A2G GAL 0.617647 0.916667
5 NAG FUC 0.6 0.916667
6 NG6 BDP ASG GCD 0.558824 0.712121
7 A2G NAG 0.547945 0.9
8 NAG GAL GLC NAG GLC RAM 0.534884 0.9
9 NAG GAD 0.525 0.92
10 NAG BDP NAG BDP NAG BDP NAG 0.516854 0.901961
11 NAG GAL FUC 0.5 0.897959
12 NAG BDP NAG BDP 0.489583 0.851852
13 AMU 0.465753 0.875
14 A2G GAL SIA 0.46 0.903846
15 1GN ACY GAL 1GN BGC ACY GAL BGC 0.457447 0.9
16 NAG BDP NAG BDP NAG BDP 0.455446 0.867925
17 ADA AQA 0.453333 0.645833
18 A2G GAL NAG 0.448276 0.9
19 LGU MAV BEM 0.419753 0.632653
20 NAG 2FG SIA 0.415094 0.839286
21 MGC GAL 0.410256 0.88
22 GAL NGA A2G 0.4 0.9
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG GC4; Similar ligands found: 26
No: Ligand Similarity coefficient
1 NAG GCD 0.9774
2 NAG GAL 0.9567
3 NDG GAD 0.9529
4 NGA GCD 0.9522
5 GAL NOK 0.9256
6 NOK GAL 0.9256
7 NGA GAL 0.9197
8 LOG GAL 0.9156
9 GAL NGT 0.8953
10 BGC GAL 0.8928
11 BGC BGC 0.8911
12 NDG GAL 0.8909
13 NGT GAL 0.8898
14 NOY BGC 0.8882
15 GLC GAL 0.8870
16 BGC Z9D 0.8844
17 NDG GCD 0.8791
18 GAL GC2 0.8757
19 GCS GCS 0.8755
20 SHG BGC 0.8739
21 PA1 GCS 0.8702
22 ABL 0.8689
23 M0Z 0.8620
24 IDC 0.8592
25 NGA NAG 0.8574
26 1YZ 0.8564
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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