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 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
NAG BDP A:709;
Valid;
none;
submit data
396.325 n/a O=C([...
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: NAG BDP; Similar ligands found: 79
No: Ligand ECFP6 Tc MDL keys Tc
1 NAG BDP 1 1
2 GAL NGA 0.68254 0.916667
3 A2G GAL 0.68254 0.916667
4 GAL A2G 0.68254 0.916667
5 NAG BDP NAG BDP 0.674699 0.886792
6 FUC NAG 0.661538 0.916667
7 GC4 NAG 0.657143 0.958333
8 NAG GCU NAG GCU NAG GCU 5AX 0.6375 0.94
9 NAG BDP NAG BDP NAG BDP NAG 0.6375 0.94
10 GAL NGA A2G 0.614286 0.882353
11 NAG NGA 0.57971 0.9
12 NAG A2G 0.57971 0.9
13 NAG BDP NAG BDP NAG BDP 0.554348 0.903846
14 NAG GAD 0.552632 0.959184
15 GAD NDG 0.552632 0.959184
16 NGA GCD 0.552632 0.959184
17 GCD NGA 0.552632 0.959184
18 ASG IDR IDR ASG 0.551724 0.730159
19 DR3 0.545455 0.897959
20 NAG GAL FUC 0.545455 0.897959
21 UCD 0.519481 0.938776
22 AMU 0.514706 0.875
23 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.477778 0.9
24 1GN ACY GAL ACY 1GN BGC GAL BGC 0.477778 0.9
25 ADA ADA 0.463768 0.617021
26 GAL MGC 0.452055 0.88
27 NGA GAL SIA 0.44898 0.903846
28 SIA GAL A2G 0.44898 0.903846
29 ASG BDP GCD NG6 0.444444 0.734375
30 ASG GCD 0.44186 0.725806
31 NGA GC4 SO4 0.44186 0.725806
32 ADA ADA ADA 0.438356 0.604167
33 GTR ADA ADA 0.438356 0.604167
34 ADA ADA ADA ADA ADA 0.438356 0.604167
35 ADA ADA ADA ADA ADA ADA 0.438356 0.604167
36 ADA ADA ADA ADA 0.438356 0.604167
37 NLC 0.432432 0.916667
38 NDG GAL 0.432432 0.916667
39 GAL NDG 0.432432 0.916667
40 GAL SER A2G 0.426829 0.92
41 FUC NAG GAL 0.426829 0.897959
42 FUC NDG GAL 0.426829 0.897959
43 GAL TNR 0.426829 0.92
44 GAL NAG FUC 0.426829 0.897959
45 A2G SER GAL 0.426829 0.92
46 NGA SER GAL 0.426829 0.92
47 GAL NDG FUC 0.426829 0.897959
48 A2G 0.421875 0.851064
49 NDG 0.421875 0.851064
50 NAG 0.421875 0.851064
51 BM3 0.421875 0.851064
52 HSQ 0.421875 0.851064
53 NGA 0.421875 0.851064
54 NAG FUC 0.421053 0.895833
55 GAL A2G THR 0.411765 0.94
56 ADA M8C M8C M8C M8C ADA 0.407407 0.6
57 FUC NDG GAL FUC 0.406977 0.918367
58 FUC NAG GAL FUC 0.406977 0.918367
59 FUC GAL NDG FUC 0.406977 0.918367
60 GAL NDG FUC FUC 0.406977 0.918367
61 BCW 0.406977 0.918367
62 BDZ 0.406977 0.918367
63 GAL NAG FUC FUC 0.406977 0.918367
64 FUC GAL NAG FUC 0.406977 0.918367
65 NG6 GCD 0.404494 0.730159
66 GCD NG6 0.404494 0.730159
67 SIA 2FG NAG 0.403846 0.839286
68 GAL NAG 0.402597 0.916667
69 NAG GAL 0.402597 0.916667
70 NGA GAL 0.402597 0.916667
71 NAG GAL GAL 0.402439 0.916667
72 MAN BMA NAG 0.402439 0.916667
73 GLA GAL NAG 0.402439 0.916667
74 GAL NAG GAL BGC 0.402299 0.916667
75 LAT NAG GAL 0.402299 0.916667
76 NAG MUB 0.402299 0.94
77 BGC GAL NAG GAL 0.402299 0.916667
78 NAG AMU 0.402299 0.94
79 ASG BDP ASG GCD 0.401869 0.692308
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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