Receptor
PDB id Resolution Class Description Source Keywords
1hm2 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
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
ASG IDR ASG IDR D:1;
 Valid;
 none;
 submit data
932.745 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: ASG IDR ASG IDR; Similar ligands found: 22
No: Ligand ECFP6 Tc MDL keys Tc
1 ASG IDR ASG IDR 1 1
2 ASG BDP ASG GCD 0.757576 0.954545
3 NG6 BDP ASG GCD 0.657407 0.969697
4 BDP ASG BDP ASG BDP ASG 0.622642 0.941176
5 ASG GC4 0.591398 0.909091
6 GNS IDR GNS IDR GNS IDR GNS IDR 0.57 0.895522
7 NAG BDP 0.545455 0.707692
8 NAG BDP NAG BDP NAG BDP NAG 0.534653 0.753846
9 BDP GNS BDP GNS BDP GNS BDP 0.529412 0.895522
10 ASG GCD 0.515152 0.909091
11 NAG BDP NAG BDP NAG BDP 0.491071 0.731343
12 NAG GCU NAG GCD 0.482456 0.710145
13 NAG BDP NAG BDP 0.481818 0.720588
14 MAG SGA FUC 0.471154 0.953846
15 BDP NPO GNS BDP 0.432203 0.779221
16 MAG FUC G4S 0.420561 0.969231
17 NAG G6S 0.42 0.938462
18 IDY GNX 0.417476 0.84058
19 BDP NPO NDG BDP NDG 0.416667 0.684211
20 NAG FUC GAL 0.41 0.692308
21 NDG FUC GAL FUC 0.407767 0.707692
22 8EX GCD 0.40367 0.909091
Similar Ligands (3D)
Ligand no: 1; Ligand: ASG IDR ASG IDR; 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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