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+2]...
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: 29
No: Ligand ECFP6 Tc MDL keys Tc
1 NGA GC4 SO4 1 1
2 ASG GCD 1 1
3 GC4 NAG 0.684211 0.754098
4 ASG BDP GCD NG6 0.615385 0.9375
5 ASG IDR IDR ASG 0.580645 0.90625
6 GCD ASG 0.568182 0.920635
7 NGK GCD 0.568182 0.920635
8 ASG BDP ASG GCD 0.5 0.892308
9 FUC NDG GAL 0.449438 0.709677
10 GAL NAG FUC 0.449438 0.709677
11 GAL NDG FUC 0.449438 0.709677
12 FUC NAG GAL 0.449438 0.709677
13 NAG BDP 0.44186 0.725806
14 GAL NDG FUC FUC 0.430108 0.698413
15 FUC GAL NDG FUC 0.430108 0.698413
16 BDZ 0.430108 0.698413
17 GAL NAG FUC FUC 0.430108 0.698413
18 BDP ASG BDP ASG BDP ASG 0.419643 0.880597
19 FUC NAG GAL FUC 0.414894 0.698413
20 FUC GAL NAG FUC 0.414894 0.698413
21 FUC NDG GAL FUC 0.414894 0.698413
22 BCW 0.414894 0.698413
23 G6S NAG 0.413043 0.95082
24 FUC NAG 0.411765 0.693548
25 GAL NGA 0.404762 0.721311
26 A2G GAL 0.404762 0.721311
27 GAL A2G 0.404762 0.721311
28 G4S MAG FUC 0.40404 0.890625
29 SGA MAG FUC 0.4 0.890625
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1HMU; Ligand: ASG GCD; Similar sites found: 6
This union binding pocket(no: 1) in the query (biounit: 1hmu.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3DM0 GLC GLC 0.01292 0.40476 2.01729
2 4IFP MAL 0.01174 0.4068 3.00429
3 3W9F I3P 0.003092 0.45404 9.61539
4 1W3Y PVC 0.00000001087 0.45993 32.8571
5 2WDA L42 0.0000006651 0.50516 37
6 2E22 MAN 0.0000003692 0.57172 38
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