Receptor
PDB id Resolution Class Description Source Keywords
1HMU 2 Å EC: 4.2.2.5 ACTIVE SITE OF CHONDROITINASE AC LYASE REVEALED BY THE STRUC ENZYME-OLIGOSACCHARIDE COMPLEXES AND MUTAGENESIS PEDOBACTER HEPARINUS PROTEIN-OLIGOSACCHARIDE COMPLEX ACTIVE SITE CATALYSIS LYA
Ref.: ACTIVE SITE OF CHONDROITIN AC LYASE REVEALED BY THE STRUCTURE OF ENZYME-OLIGOSACCHARIDE COMPLEXES AND MUTAGENESIS. BIOCHEMISTRY V. 40 2359 2001
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
ASG GCD A:709;
Valid;
none;
submit data
459.381 n/a S(=O)...
CA A:1801;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
MAN GCU RAM A:706;
Part of Protein;
none;
submit data n/a n/a n/a n/a
MAN GCU RAM XYP MXY A:701;
Part of Protein;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1HMU 2 Å EC: 4.2.2.5 ACTIVE SITE OF CHONDROITINASE AC LYASE REVEALED BY THE STRUC ENZYME-OLIGOSACCHARIDE COMPLEXES AND MUTAGENESIS PEDOBACTER HEPARINUS PROTEIN-OLIGOSACCHARIDE COMPLEX ACTIVE SITE CATALYSIS LYA
Ref.: ACTIVE SITE OF CHONDROITIN AC LYASE REVEALED BY THE STRUCTURE OF ENZYME-OLIGOSACCHARIDE COMPLEXES AND MUTAGENESIS. BIOCHEMISTRY V. 40 2359 2001
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1HMU - ASG GCD n/a n/a
2 1HM3 - NAG BDP n/a n/a
3 1HMW - ASG BDP GCD NG6 n/a n/a
4 1HM2 - ASG IDR IDR ASG n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1HMU - ASG GCD n/a n/a
2 1HM3 - NAG BDP n/a n/a
3 1HMW - ASG BDP GCD NG6 n/a n/a
4 1HM2 - ASG IDR IDR ASG n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1HMU - ASG GCD n/a n/a
2 1HM3 - NAG BDP n/a n/a
3 1HMW - ASG BDP GCD NG6 n/a n/a
4 1HM2 - ASG IDR IDR ASG n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ASG GCD; Similar ligands found: 31
No: Ligand ECFP6 Tc MDL keys Tc
1 ASG GCD 1 1
2 GC4 NAG 0.684211 0.730159
3 ASG BDP GCD NG6 0.621359 0.939394
4 ASG IDR IDR ASG 0.591398 0.909091
5 GCD ASG 0.586207 0.9375
6 NGK GCD 0.586207 0.9375
7 ASG BDP ASG GCD 0.514019 0.895522
8 L42 0.478261 0.907692
9 GCD 8EX 0.453608 0.907692
10 G6S NAG 0.444444 0.9375
11 NAG BDP 0.44186 0.730159
12 FUC NDG GAL 0.433333 0.661538
13 GAL NDG FUC 0.433333 0.661538
14 ASG 0.43038 0.875
15 GAL NAG FUC FUC 0.414894 0.676923
16 FUC GAL NAG FUC 0.414894 0.676923
17 GAL NDG FUC FUC 0.414894 0.676923
18 FUC NDG GAL FUC 0.414894 0.676923
19 BDZ 0.414894 0.676923
20 FUC GAL NDG FUC 0.414894 0.676923
21 SGN IXD 0.414141 0.850746
22 IDU SGN 0.414141 0.850746
23 GAL A2G 0.404762 0.671875
24 NDG GAL 0.404762 0.671875
25 NLC 0.404762 0.671875
26 GAL NDG 0.404762 0.671875
27 GAL NGA 0.404762 0.671875
28 A2G GAL 0.404762 0.671875
29 FUC NAG GAL FUC 0.4 0.676923
30 G4S MAG FUC 0.4 0.909091
31 BCW 0.4 0.676923
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1HMU; 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: 1) in the query (biounit: 1hmu.bio1) has 18 residues
No: Leader PDB Ligand Sequence Similarity
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