Receptor
PDB id Resolution Class Description Source Keywords
1HMW 2.3 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
CA A:1801;
 Part of Protein;
 none;
 submit data
40.078 Ca [Ca+2...
MAN GCU RAM C:1;
 Part of Protein;
 none;
 submit data
n/a n/a
MAN GCU RAM XYP MXY B:1;
 Part of Protein;
 none;
 submit data
n/a n/a
NG6 BDP ASG GCD D:1;
 Valid;
 none;
 submit data
916.746 n/a S(=O)...
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 - NG6 BDP ASG GCD n/a n/a
4 1HM2 - ASG IDR ASG IDR 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 - NG6 BDP ASG GCD n/a n/a
4 1HM2 - ASG IDR ASG IDR 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 - NG6 BDP ASG GCD n/a n/a
4 1HM2 - ASG IDR ASG IDR n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NG6 BDP ASG GCD; Similar ligands found: 15
No: Ligand ECFP6 Tc MDL keys Tc
1 NG6 BDP ASG GCD 1 1
2 ASG IDR ASG IDR 0.657407 0.969697
3 ASG GC4 0.621359 0.939394
4 ASG BDP ASG GCD 0.581967 0.926471
5 NAG GC4 0.558824 0.712121
6 BDP ASG BDP ASG BDP ASG 0.552846 0.942029
7 NAG BDP NAG BDP NAG BDP NAG 0.513043 0.757576
8 NAG BDP NAG BDP NAG BDP 0.47619 0.735294
9 NAG BDP 0.448598 0.712121
10 IDY SUS 0.440678 0.828571
11 NAG GCU NAG GCD 0.424242 0.73913
12 NG6 GCD 0.423729 0.897059
13 NAG BDP NAG BDP 0.410853 0.724638
14 GNS IDR GNS IDR GNS IDR GNS IDR 0.408 0.869565
15 NAG G6S 0.4 0.939394
Similar Ligands (3D)
Ligand no: 1; Ligand: NG6 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 : 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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