Receptor
PDB id Resolution Class Description Source Keywords
5J7Z 2.15 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF ENDOGLYCOCERAMIDASE I FROM RHODOCOC-CUS COMPLEX WITH GM1 RHODOCOCCUS EQUI 103S COMPLEX HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO THE BROAD SUBSTRATE SPECIF A NOVEL ENDOGLYCOCERAMIDASE I BELONGING TO A NEW SU OF GH5 GLYCOSIDASES. J. BIOL. CHEM. V. 292 4789 2017
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
NA A:606;
B:501;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
BGC 18C GAL NGA SIA GAL A:604;
Valid;
Atoms found LESS than expected: % Diff = 0.131;
submit data
1349.45 n/a O=C([...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5J7Z 2.15 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF ENDOGLYCOCERAMIDASE I FROM RHODOCOC-CUS COMPLEX WITH GM1 RHODOCOCCUS EQUI 103S COMPLEX HYDROLASE
Ref.: STRUCTURAL INSIGHTS INTO THE BROAD SUBSTRATE SPECIF A NOVEL ENDOGLYCOCERAMIDASE I BELONGING TO A NEW SU OF GH5 GLYCOSIDASES. J. BIOL. CHEM. V. 292 4789 2017
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 250 families.
1 5J7Z - BGC 18C GAL NGA SIA GAL n/a n/a
2 5J14 - BGC 18C GAL SIA n/a n/a
70% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 217 families.
1 5J7Z - BGC 18C GAL NGA SIA GAL n/a n/a
2 5J14 - BGC 18C GAL SIA n/a n/a
50% Homology Family (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 181 families.
1 5J7Z - BGC 18C GAL NGA SIA GAL n/a n/a
2 5J14 - BGC 18C GAL SIA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BGC 18C GAL NGA SIA GAL; Similar ligands found: 73
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC 18C GAL NGA SIA GAL 1 1
2 BGC 18C GAL SIA 0.817568 1
3 SIA GAL BGC 16C 0.78 1
4 SIA GAL BGC NGA GAL 0.642384 0.83871
5 GAL NGA SIA GAL BGC 0.642384 0.83871
6 GAL NGA GAL BGC SIA 0.642384 0.83871
7 BGC GAL SIA NGA GAL 0.642384 0.83871
8 LGN 0.594595 0.903226
9 IGC 0.594595 0.903226
10 BGC GAL SIA SIA GAL NGA 0.593548 0.83871
11 GAL BGC GAL SIA NGA SIA 0.593548 0.83871
12 GAL SIA NGA GAL 0.586667 0.83871
13 BGC 18C GAL 0.583333 0.903226
14 BGC GAL CEQ SLB NGA GAL SIA SIA 0.557471 0.794118
15 GAL SIA NGA GAL SIA 0.545455 0.83871
16 BGC GAL SIA NGA 0.537975 0.83871
17 GAL BGC SIA NGA 0.537975 0.83871
18 SIA GAL BGC NGA 0.537975 0.83871
19 GAL NGA GAL SIA 0.525641 0.83871
20 SIA GAL NGA GAL 0.525641 0.83871
21 SIA SIA GAL NGA GAL SIA 0.521212 0.854839
22 SIA GAL SIA BGC NGA 0.511765 0.854839
23 SIA GAL SIA GLC NGA 0.511765 0.854839
24 SIA SIA GAL NGA GAL 0.5 0.854839
25 SIA GAL SIA BGC NGA CEQ 0.491713 0.867647
26 GAL BGC SIA 0.483871 0.806452
27 SIA GAL GLC 0.483871 0.806452
28 BGC GAL SIA 0.483871 0.806452
29 SIA GAL BGC 0.483871 0.806452
30 BGC SIA GAL 0.483871 0.806452
31 SIA BGC GAL 0.483871 0.806452
32 GLA GLC SIA 0.483871 0.806452
33 BGC GAL SIA NGA GAL SIA 0.477528 0.732394
34 SIA GAL MAG FUC 0.47561 0.809524
35 SIA GAL NGA 0.471338 0.83871
36 03F 0.469799 0.870968
37 NAG SIA GAL 0.464968 0.83871
38 SIA GAL NAG 0.464968 0.83871
39 BGC SIA SIA GAL 0.461078 0.854839
40 SIA SIA GLA BGC 0.461078 0.854839
41 NGC GAL NGA POL AZI 0.458824 0.75
42 NGA GAL SIA 0.458599 0.83871
43 SIA GAL A2G 0.458599 0.83871
44 GAL TNR SIA 0.451219 0.870968
45 SIA NAG GAL GAL 0.451219 0.854839
46 SIA GAL NAG FUC 0.449102 0.83871
47 SIA GAL NDG FUC 0.449102 0.83871
48 SIA GLA NAG FUC 0.449102 0.83871
49 NDG FUC SIA GAL 0.449102 0.83871
50 FUC NDG GAL SIA 0.449102 0.83871
51 NAG FUC SIA GAL 0.449102 0.83871
52 NAG GAL NGC 0.445122 0.83871
53 SLF 0.43871 0.74026
54 EIS 0.43871 0.74026
55 SIA GAL NGS 0.437126 0.702703
56 SIA GAL NAG GAL GLC 0.436782 0.854839
57 BGC GAL NAG SIA GAL 0.436782 0.854839
58 SIA GAL NAG GAL BGC 0.436782 0.854839
59 LAT SPH OCA 0.433962 0.84375
60 MN0 GAL GLC 0.432099 0.806452
61 SIA GAL NAG SIA 0.431138 0.854839
62 SIA GAL NDG SIA 0.431138 0.887097
63 CIS 0.43038 0.74026
64 Z3Q GAL 5N6 0.421965 0.797101
65 SIA NAG GAL 0.420732 0.887097
66 SLT 0.416149 0.790323
67 SIA GLA NGS FUC 0.41573 0.702703
68 GAL NAG SIA GAL 0.415205 0.854839
69 SIA GAL NAG GAL 0.415205 0.854839
70 SIA 2FG NAG 0.412121 0.787879
71 NAG GAL SIA 0.406061 0.854839
72 0SG 0.401235 0.727273
73 4U0 0.4 0.806452
Similar Binding Sites (Proteins are less than 50% similar to leader)
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