Receptor
PDB id Resolution Class Description Source Keywords
1ofm 1.8 Å EC: 4.2.2.4 CRYSTAL STRUCTURE OF CHONDROITINASE B COMPLEXED TO CHONDROIT SULFATE TETRASACCHARIDE PEDOBACTER HEPARINUS ACTIVE SITE BETA-ELIMINATION CHONDROITIN 4-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
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASG BDP ASG GCD C:1;
 Valid;
 none;
 submit data
914.73 n/a S(=O)...
MAN GCU RAM XYP MXZ GLA BGC B:1;
 Part of Protein;
 none;
 submit data
n/a n/a
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 BDP ASG GCD; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 ASG BDP ASG GCD 1 1
2 ASG IDR ASG IDR 0.757576 0.954545
3 ASG GCD 0.744681 0.953846
4 8EX GCD 0.605769 0.953846
5 NG6 BDP ASG GCD 0.581967 0.926471
6 BDP ASG BDP ASG BDP ASG 0.55 0.9
7 NAG GAD 0.529412 0.701493
8 ASG GC4 0.514019 0.895522
9 83Y BDP 83Y GCD 0.504274 0.738462
10 NG6 GCD 0.495413 0.910448
11 NAG BDP NAG BDP NAG BDP 0.471545 0.746269
12 NAG BDP NAG BDP NAG BDP NAG 0.469565 0.716418
13 NAG GCU NAG GCD 0.464 0.724638
14 GNS IDR GNS IDR GNS IDR GNS IDR 0.449153 0.855072
15 MAG SGA FUC 0.42735 0.910448
16 BDP GNS BDP GNS BDP GNS BDP 0.404959 0.855072
17 NAG BDP 0.401869 0.671642
18 GNS UAP 0.4 0.869565
Similar Ligands (3D)
Ligand no: 1; Ligand: ASG BDP ASG GCD; 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 : 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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