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 D:1;
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 C:1;
Valid;
none;
submit data
1180.5 n/a O=C(N...
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 311 families.
1 5J7Z - BGC 18C GAL SIA NGA 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 266 families.
1 5J7Z - BGC 18C GAL SIA NGA 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 218 families.
1 5J7Z - BGC 18C GAL SIA NGA 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: 65
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 DAO 0.54717 0.896552
17 LAT SPH OLA 0.54717 0.896552
18 PBS 0.544554 0.912281
19 FEE 0.544554 0.912281
20 F61 0.544554 0.912281
21 AGH 0.544554 0.912281
22 0SH 0.544554 0.912281
23 LMU 0.521739 0.75
24 DMU 0.521739 0.75
25 UMQ 0.521739 0.75
26 LMT 0.521739 0.75
27 1PZ 0.494737 0.636364
28 1PX 0.494737 0.636364
29 SFT 0.491228 0.753425
30 GAL SPH EIC 0.482456 0.896552
31 JTG 0.482143 0.913793
32 GGD 0.478632 0.789474
33 ERA BGC GAL 0.471545 0.915254
34 7LM 0.470588 0.913793
35 C8P 0.470588 0.913793
36 C1Q 0.470588 0.913793
37 JTD 0.464912 0.896552
38 C6Q 0.462185 0.913793
39 SPL 0.461538 0.732143
40 18C 0.461538 0.732143
41 16C 0.461538 0.732143
42 GAL SPH NER 0.459459 0.87931
43 6UZ 0.459184 0.666667
44 C8F 0.458333 0.854839
45 ELS 0.455285 0.870968
46 1O2 0.454545 0.754386
47 GLA GAL GLC NBU 0.452632 0.696429
48 3TF 0.45045 0.754386
49 GLA EGA 0.444444 0.625
50 6CM 0.44086 0.732143
51 JTJ 0.438017 0.931035
52 FJM 0.4375 0.868852
53 EM4 0.4375 0.868852
54 GLA GAL BGC 5VQ 0.43617 0.660714
55 JTM 0.434426 0.870968
56 JU1 0.430894 0.885246
57 7LP 0.429688 0.868852
58 10M 0.425743 0.711864
59 T6D 0.425743 0.767857
60 JU4 0.424 0.857143
61 1L2 0.423729 0.754386
62 GAL BGC NAG GAL 0.415094 0.741379
63 MAL EDO 0.408602 0.625
64 GSL 0.40367 0.912281
65 BGB 0.401869 0.767857
Ligand no: 2; Ligand: BGC 18C GAL SIA; Similar ligands found: 82
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 IGC 0.634328 0.903226
5 LGN 0.634328 0.903226
6 BGC 18C GAL 0.623077 0.903226
7 SIA GAL BGC 0.577778 0.806452
8 GLA GLC SIA 0.577778 0.806452
9 GAL BGC SIA 0.577778 0.806452
10 BGC GAL SIA 0.577778 0.806452
11 BGC SIA GAL 0.577778 0.806452
12 SIA GAL GLC 0.577778 0.806452
13 NAG SIA GAL 0.566176 0.83871
14 SIA GAL NGA GLA GAL BGC 0.550336 0.83871
15 BGC SIA SIA GAL 0.544218 0.854839
16 SIA SIA GLA BGC 0.544218 0.854839
17 NAG GAL NGC 0.538462 0.83871
18 SIA GAL MAG FUC 0.530612 0.809524
19 BGC GAL CEQ SLB NGA GAL SIA SIA 0.53012 0.823529
20 NGA GAL SIA 0.52518 0.83871
21 SIA GAL A2G 0.52518 0.83871
22 NAG FUC SIA GAL 0.52027 0.83871
23 FUC NDG GAL SIA 0.52027 0.83871
24 SIA GAL NDG FUC 0.52027 0.83871
25 SIA GLA NAG FUC 0.52027 0.83871
26 SIA GAL NAG FUC 0.52027 0.83871
27 NDG FUC SIA GAL 0.52027 0.83871
28 NAG GAL FUC GAL SIA 0.519737 0.83871
29 SIA GAL NGS 0.517007 0.684211
30 MN0 GAL GLC 0.514085 0.806452
31 GAL SIA NGA GAL SIA 0.513699 0.83871
32 BGC GAL SIA SIA GAL NGA 0.513158 0.83871
33 BGC GAL SIA NGA GAL SIA 0.513158 0.83871
34 03F 0.507463 0.870968
35 SIA SIA GAL NGA GAL 0.50641 0.854839
36 EIS 0.50365 0.74026
37 SLF 0.50365 0.74026
38 SIA GAL NDG SIA 0.5 0.887097
39 SIA GAL NAG GAL 0.5 0.854839
40 NGC GAL NGA POL AZI 0.5 0.75
41 CIS 0.492857 0.74026
42 SIA SIA GAL NGA GAL SIA 0.490446 0.854839
43 GAL NGA GAL BGC SIA 0.490323 0.83871
44 GAL NGA SIA GAL BGC 0.490323 0.83871
45 SIA GAL BGC NGA GAL 0.490323 0.83871
46 BGC GAL SIA NGA GAL 0.490323 0.83871
47 SIA GAL NAG SIA 0.489933 0.854839
48 SLT 0.485915 0.790323
49 SIA GAL 0.481203 0.806452
50 GAL SIA 0.481203 0.806452
51 SIA GLA NGS FUC 0.477987 0.684211
52 SIA GAL BGC NGA GAL FUC 0.47561 0.83871
53 4U2 0.475524 0.822581
54 GAL SIA NGA GAL 0.473333 0.83871
55 SIA GAL NGA GAL 0.473333 0.83871
56 SIA GAL SIA BGC NGA CEQ 0.47093 0.867647
57 NAG GAL BGC SIA 0.467532 0.83871
58 GAL BGC SIA NGA 0.467532 0.83871
59 SIA GAL BGC NGA 0.467532 0.83871
60 BGC GAL SIA NGA 0.467532 0.83871
61 NGC MBG 0.463768 0.793651
62 0SG 0.458333 0.727273
63 SIA SIA GAL 0.455172 0.854839
64 GAL NGA GAL SIA 0.453947 0.854839
65 SIA 2FG 0.449275 0.757576
66 SIA GAL NAG GAL BGC 0.447205 0.854839
67 SIA GAL NAG GAL GLC 0.447205 0.854839
68 BGC GAL NAG SIA GAL 0.447205 0.854839
69 SIA GAL NGA 0.445946 0.83871
70 SIA GAL SIA BGC NGA 0.445783 0.854839
71 SIA GAL SIA GLC NGA 0.445783 0.854839
72 LAT SPH OCA 0.445205 0.84375
73 SIA 2FG NAG 0.44 0.787879
74 GAL TNR SIA 0.432258 0.857143
75 GAL NAG SIA GAL 0.424051 0.854839
76 NAG GAL SIA 0.423841 0.854839
77 SIA GAL NAG 0.423841 0.854839
78 SIA NAG GAL 0.421053 0.887097
79 4U0 0.417219 0.806452
80 SIA NAG GAL GAL 0.407643 0.854839
81 4U1 0.405229 0.83871
82 JLS 0.401361 0.870968
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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