Receptor
PDB id Resolution Class Description Source Keywords
5J14 1.92 Å EC: 7.-.-.- CRYSTAL STRUCTURE OF ENDOGLYCOCERAMIDASE I FROM RHODOCOC-CUS COMPLEX WITH GM3 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
BGC 18C GAL B:501;
Valid;
none;
submit data
890.25 n/a O=C(N...
NA A:504;
B:503;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
BGC 18C GAL SIA A:501;
Valid;
none;
submit data
1180.5 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; Similar ligands found: 54
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC 18C GAL 1 1
2 LGN 0.913979 1
3 IGC 0.913979 1
4 03F 0.788889 0.964286
5 LAT SPH OCA 0.666667 0.931035
6 SLF 0.65 0.753425
7 EIS 0.65 0.753425
8 CIS 0.631068 0.753425
9 BGC 18C GAL SIA 0.623077 0.903226
10 0SG 0.59434 0.739726
11 JLS 0.586538 0.929825
12 BGC 18C GAL NGA SIA GAL 0.583333 0.903226
13 SIA GAL BGC 16C 0.571429 0.903226
14 GM3 0.555556 0.928571
15 DB6 0.54955 0.929825
16 LAT SPH OLA 0.54717 0.896552
17 LAT SPH DAO 0.54717 0.896552
18 AGH 0.544554 0.912281
19 PBS 0.544554 0.912281
20 FEE 0.544554 0.912281
21 0SH 0.544554 0.912281
22 DMU 0.521739 0.75
23 UMQ 0.521739 0.75
24 LMU 0.521739 0.75
25 LMT 0.521739 0.75
26 1PX 0.494737 0.636364
27 1PZ 0.494737 0.636364
28 SFT 0.491228 0.753425
29 GAL SPH EIC 0.482456 0.896552
30 GGD 0.478632 0.789474
31 ERA BGC GAL 0.471545 0.915254
32 C8P 0.470588 0.913793
33 7LM 0.470588 0.913793
34 C1Q 0.470588 0.913793
35 C6Q 0.462185 0.913793
36 16C 0.461538 0.732143
37 SPL 0.461538 0.732143
38 18C 0.461538 0.732143
39 GAL SPH NER 0.459459 0.87931
40 6UZ 0.459184 0.666667
41 C8F 0.458333 0.854839
42 1O2 0.454545 0.754386
43 GLA GAL GLC NBU 0.452632 0.696429
44 3TF 0.45045 0.754386
45 GLA EGA 0.444444 0.625
46 6CM 0.44086 0.732143
47 GLA GAL BGC 5VQ 0.43617 0.660714
48 7LP 0.429688 0.868852
49 10M 0.425743 0.711864
50 1L2 0.423729 0.754386
51 GAL BGC NAG GAL 0.415094 0.741379
52 MAL EDO 0.408602 0.625
53 GSL 0.40367 0.912281
54 BGB 0.401869 0.767857
Ligand no: 2; Ligand: BGC 18C GAL SIA; Similar ligands found: 81
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC 18C GAL SIA 1 1
2 SIA GAL BGC 16C 0.937984 1
3 BGC 18C GAL NGA SIA GAL 0.817568 1
4 LGN 0.634328 0.903226
5 IGC 0.634328 0.903226
6 BGC 18C GAL 0.623077 0.903226
7 BGC SIA GAL 0.577778 0.806452
8 BGC GAL SIA 0.577778 0.806452
9 SIA GAL GLC 0.577778 0.806452
10 GAL BGC SIA 0.577778 0.806452
11 SIA GAL BGC 0.577778 0.806452
12 GLA GLC SIA 0.577778 0.806452
13 SIA BGC GAL 0.577778 0.806452
14 NAG SIA GAL 0.566176 0.83871
15 SIA GAL NAG 0.566176 0.83871
16 BGC SIA SIA GAL 0.544218 0.854839
17 SIA SIA GLA BGC 0.544218 0.854839
18 NAG GAL NGC 0.538462 0.83871
19 GAL NGA GAL SIA 0.534722 0.83871
20 SIA GAL NGA GAL 0.534722 0.83871
21 SIA GAL MAG FUC 0.530612 0.809524
22 SIA GAL A2G 0.52518 0.83871
23 NGA GAL SIA 0.52518 0.83871
24 SIA GLA NAG FUC 0.52027 0.83871
25 SIA GAL NAG FUC 0.52027 0.83871
26 NDG FUC SIA GAL 0.52027 0.83871
27 SIA GAL NDG FUC 0.52027 0.83871
28 NAG FUC SIA GAL 0.52027 0.83871
29 FUC NDG GAL SIA 0.52027 0.83871
30 SIA GAL NGS 0.517007 0.702703
31 MN0 GAL GLC 0.514085 0.806452
32 GAL SIA NGA GAL SIA 0.513699 0.83871
33 GAL BGC GAL SIA NGA SIA 0.513158 0.83871
34 BGC GAL SIA SIA GAL NGA 0.513158 0.83871
35 03F 0.507463 0.870968
36 SIA SIA GAL NGA GAL 0.50641 0.854839
37 EIS 0.50365 0.74026
38 SLF 0.50365 0.74026
39 SIA GAL NDG SIA 0.5 0.887097
40 NGC GAL NGA POL AZI 0.5 0.75
41 BGC GAL CEQ SLB NGA GAL SIA SIA 0.494118 0.794118
42 CIS 0.492857 0.74026
43 SIA SIA GAL NGA GAL SIA 0.490446 0.854839
44 SIA GAL BGC NGA GAL 0.490323 0.83871
45 BGC GAL SIA NGA GAL 0.490323 0.83871
46 GAL NGA SIA GAL BGC 0.490323 0.83871
47 GAL NGA GAL BGC SIA 0.490323 0.83871
48 SIA GAL NAG SIA 0.489933 0.854839
49 SLT 0.485915 0.790323
50 SIA GAL 0.481203 0.806452
51 SIA GLA NGS FUC 0.477987 0.702703
52 4U2 0.475524 0.822581
53 GAL SIA NGA GAL 0.473333 0.83871
54 SIA GAL SIA BGC NGA CEQ 0.47093 0.867647
55 GAL BGC SIA NGA 0.467532 0.83871
56 SIA GAL BGC NGA 0.467532 0.83871
57 BGC GAL SIA NGA 0.467532 0.83871
58 BGC GAL SIA NGA GAL SIA 0.464286 0.732394
59 NGC MBG 0.463768 0.793651
60 Z3Q GAL 5N6 0.458599 0.797101
61 0SG 0.458333 0.727273
62 SIA SIA GAL 0.455172 0.854839
63 SIA 2FG 0.449275 0.757576
64 SIA GAL NAG GAL BGC 0.447205 0.854839
65 BGC GAL NAG SIA GAL 0.447205 0.854839
66 SIA GAL NAG GAL GLC 0.447205 0.854839
67 SIA GAL NGA 0.445946 0.83871
68 SIA GAL SIA BGC NGA 0.445783 0.854839
69 SIA GAL SIA GLC NGA 0.445783 0.854839
70 LAT SPH OCA 0.445205 0.84375
71 SIA 2FG NAG 0.44 0.787879
72 5N6 GAL 0.43662 0.83871
73 GAL TNR SIA 0.425806 0.870968
74 GAL NAG SIA GAL 0.424051 0.854839
75 SIA GAL NAG GAL 0.424051 0.854839
76 NAG GAL SIA 0.423841 0.854839
77 SIA NAG GAL 0.421053 0.887097
78 4U0 0.417219 0.806452
79 SIA NAG GAL GAL 0.407643 0.854839
80 4U1 0.405229 0.83871
81 JLS 0.401361 0.870968
Similar Binding Sites (Proteins are less than 50% similar to leader)
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