Receptor
PDB id Resolution Class Description Source Keywords
1HM3 2.1 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
NAG BDP D:1;
 Valid;
 none;
 submit data
396.325 n/a O=C(N...
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: NAG BDP; Similar ligands found: 51
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG BDP 1 1
2 A2G GAL 0.68254 0.916667
3 NAG BDP NAG BDP 0.674699 0.886792
4 NAG FUC 0.661538 0.916667
5 NAG GC4 0.657143 0.958333
6 NAG BDP NAG BDP NAG BDP NAG 0.6375 0.94
7 A2G NAG 0.57971 0.9
8 NAG BDP NAG BDP NAG BDP 0.554348 0.903846
9 NAG GAD 0.552632 0.959184
10 ASG IDR ASG IDR 0.545455 0.707692
11 NAG GAL FUC 0.545455 0.897959
12 AMU 0.514706 0.875
13 NAG GAL GLC NAG GLC RAM 0.505882 0.9
14 A2G GAL NAG 0.487805 0.9
15 1GN ACY GAL 1GN BGC ACY GAL BGC 0.477778 0.9
16 ADA ADA 0.463768 0.617021
17 MGC GAL 0.452055 0.88
18 A2G GAL SIA 0.44898 0.903846
19 NG6 BDP ASG GCD 0.448598 0.712121
20 GNS IDR GNS IDR GNS IDR GNS IDR 0.445652 0.641791
21 ASG GC4 0.44186 0.730159
22 ADA ADA ADA ADA ADA 0.438356 0.604167
23 ADA ADA ADA ADA 0.438356 0.604167
24 ADA ADA ADA ADA ADA ADA 0.438356 0.604167
25 A2G SER GAL 0.433735 0.884615
26 NAG GAL 0.432432 0.916667
27 NAG FUC GAL 0.426829 0.897959
28 DJB DJB DJE 0.423529 0.8
29 BM3 0.421875 0.851064
30 NGA 0.421875 0.851064
31 A2G 0.421875 0.851064
32 NDG 0.421875 0.851064
33 NAG 0.421875 0.851064
34 HSQ 0.421875 0.851064
35 BDP GNS BDP GNS BDP GNS BDP 0.419355 0.641791
36 NDG NAG GLA NAG GLC RAM 0.417476 0.92
37 NDG GLA NAG GLC RAM 0.417476 0.92
38 BGC GAL NGA GAL 0.411765 0.916667
39 A2G THR GAL 0.411765 0.921569
40 ADA M8C M8C M8C M8C ADA 0.407407 0.6
41 NDG FUC GAL FUC 0.406977 0.918367
42 NAG GAL FUC FUC 0.406977 0.918367
43 GCU BGC 0.405405 0.723404
44 NG6 GCD 0.404494 0.71875
45 NAG 2FG SIA 0.403846 0.839286
46 GAL NGA A2G 0.402439 0.9
47 NAG GAL GAL 0.402439 0.916667
48 BGC GAL NAG GAL 0.402299 0.916667
49 AMU NAG 0.402299 0.94
50 MAG SGA FUC 0.402174 0.71875
51 ASG BDP ASG GCD 0.401869 0.671642
Similar Ligands (3D)
Ligand no: 1; Ligand: NAG BDP; Similar ligands found: 16
No: Ligand Similarity coefficient
1 NAG GCD 0.9403
2 NDG GAD 0.9338
3 NGA GCD 0.9250
4 NGA GAL 0.9133
5 BGC BGC 0.9087
6 LOG GAL 0.9024
7 GCS GCS 0.8962
8 GAL NOK 0.8934
9 NOK GAL 0.8894
10 SHG BGC 0.8881
11 ABL 0.8856
12 NOY BGC 0.8834
13 BGC GAL 0.8803
14 IDC 0.8801
15 GAL GC2 0.8713
16 MGL SGC 0.8632
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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