Receptor
PDB id Resolution Class Description Source Keywords
1DBO 1.7 Å EC: 4.2.2.4 CRYSTAL STRUCTURE OF CHONDROITINASE B PEDOBACTER HEPARINUS ACTIVE SITE BETA-ELIMINATION DEMATAN SULFATE LYASE
Ref.: CRYSTAL STRUCTURE OF CHONDROITINASE B FROM FLAVOBAC HEPARINUM AND ITS COMPLEX WITH A DISACCHARIDE PRODU A RESOLUTION. J.MOL.BIOL. V. 294 1257 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAN GCU RAM XYP MXY G4D BGC B:1;
 Part of Protein;
 none;
 submit data
n/a n/a
ASG GC4 C:1;
 Valid;
 none;
 submit data
459.381 n/a S(=O)...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OFL 1.7 Å EC: 4.2.2.4 CRYSTAL STRUCTURE OF CHONDROITINASE B COMPLEXED TO DERMATAN HEXASACCHARIDE PEDOBACTER HEPARINUS ACTIVE SITE BETA-ELIMINATION DEMATAN SULFATE LYASE
Ref.: THE STRUCTURE OF CHONDROITIN B LYASE COMPLEXED WITH GLYCOSAMINOGLYCAN OLIGOSACCHARIDES UNRAVELS A CALCIUM-DEPENDENT CATALYTIC MACHINERY J.BIOL.CHEM. V. 279 32882 2004
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1OFL - NGK GCD n/a n/a
2 1DBO - ASG GC4 n/a n/a
3 1OFM - ASG BDP ASG GCD n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1OFL - NGK GCD n/a n/a
2 1DBO - ASG GC4 n/a n/a
3 1OFM - ASG BDP ASG GCD n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1OFL - NGK GCD n/a n/a
2 1DBO - ASG GC4 n/a n/a
3 1OFM - ASG BDP ASG GCD n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: ASG GC4; Similar ligands found: 20
No: Ligand ECFP6 Tc MDL keys Tc
1 ASG GC4 1 1
2 NAG GC4 0.684211 0.730159
3 NG6 BDP ASG GCD 0.621359 0.939394
4 ASG IDR ASG IDR 0.591398 0.909091
5 ASG GCD 0.586207 0.9375
6 ASG BDP ASG GCD 0.514019 0.895522
7 MAG SGA FUC 0.5 0.923077
8 8EX GCD 0.453608 0.907692
9 NAG G6S 0.444444 0.9375
10 NAG BDP 0.44186 0.730159
11 NAG FUC GAL 0.433333 0.661538
12 ASG 0.43038 0.875
13 BDP ASG BDP ASG BDP ASG 0.428571 0.884058
14 NAG NAG 0.41573 0.681818
15 NDG FUC GAL FUC 0.414894 0.676923
16 SGN IDU 0.414141 0.850746
17 NAG GAL 0.404762 0.671875
18 A2G GAL 0.404762 0.671875
19 NAG GAL FUC FUC 0.4 0.676923
20 MAG FUC G4S 0.4 0.909091
Similar Ligands (3D)
Ligand no: 1; Ligand: ASG GC4; Similar ligands found: 2
No: Ligand Similarity coefficient
1 NGK GCD 0.9217
2 NGA GCD 0.8728
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OFL; Ligand: NGK GCD; 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: 1ofl.bio1) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1OFL; Ligand: ASG GCD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 1ofl.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1OFL; Ligand: ASG GCD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 1ofl.bio1) has 16 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1OFL; Ligand: ASG GCD; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 1ofl.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
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