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 319 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 271 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 223 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 (2D)
Ligand no: 1; Ligand: BGC 18C GAL; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC 18C GAL 1 1
2 IGC 0.913979 1
3 LGN 0.913979 1
4 03F 0.788889 0.964286
5 BGC SPH GAL 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 SIA NGA GAL 0.583333 0.903226
13 BGC 16C GAL SIA 0.571429 0.903226
14 GM3 0.555556 0.928571
15 DB6 0.54955 0.929825
16 BGC SPH GAL OLA 0.54717 0.896552
17 BGC SPH GAL DAO 0.54717 0.896552
18 PBS 0.544554 0.912281
19 AGH 0.544554 0.912281
20 F61 0.544554 0.912281
21 0SH 0.544554 0.912281
22 FEE 0.544554 0.912281
23 LMT 0.521739 0.75
24 DMU 0.521739 0.75
25 UMQ 0.521739 0.75
26 LMU 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 BGC ERA GAL 0.471545 0.915254
34 7LM 0.470588 0.913793
35 C1Q 0.470588 0.913793
36 C8P 0.470588 0.913793
37 JTD 0.464912 0.896552
38 C6Q 0.462185 0.913793
39 16C 0.461538 0.732143
40 18C 0.461538 0.732143
41 SPL 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 GLC NBU GAL GLA 0.452632 0.696429
48 3TF 0.45045 0.754386
49 6CM 0.44086 0.732143
50 JTJ 0.438017 0.931035
51 EM4 0.4375 0.868852
52 FJM 0.4375 0.868852
53 BGC 5VQ GAL GLA 0.43617 0.660714
54 JTM 0.434426 0.870968
55 JU1 0.430894 0.885246
56 7LP 0.429688 0.868852
57 10M 0.425743 0.711864
58 JU4 0.424 0.857143
59 1L2 0.423729 0.754386
60 NAG GAL BGC GAL 0.415094 0.741379
61 GLC EDO GLC 0.408602 0.625
62 GSL 0.40367 0.912281
Ligand no: 2; Ligand: BGC 18C GAL SIA; Similar ligands found: 53
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC 18C GAL SIA 1 1
2 BGC 16C GAL SIA 0.937984 1
3 BGC 18C GAL SIA NGA 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 NAG GAL SIA 0.566176 0.83871
8 BGC GAL GLA NGA GAL SIA 0.550336 0.83871
9 NGA GAL SIA 0.546099 0.822581
10 BGC GAL SIA SIA 0.544218 0.854839
11 NAG GAL NGC 0.538462 0.83871
12 GAL NGA GAL SIA 0.534722 0.83871
13 MAG FUC GAL SIA 0.530612 0.809524
14 BGC CEQ GAL SLB NGA GAL SIA SIA 0.53012 0.823529
15 A2G GAL SIA 0.52518 0.83871
16 NAG FUC GAL SIA 0.52027 0.83871
17 GAL NAG FUC GAL SIA 0.519737 0.83871
18 NGS GAL SIA 0.517007 0.684211
19 GLC GAL NGC 0.514085 0.806452
20 GAL SIA NGA GAL SIA 0.513699 0.83871
21 BGC GAL SIA NGA GAL SIA 0.513158 0.83871
22 03F 0.507463 0.870968
23 GAL NGA GAL SIA SIA 0.50641 0.854839
24 EIS 0.50365 0.74026
25 SLF 0.50365 0.74026
26 NDG GAL SIA SIA 0.5 0.887097
27 NGA POL GAL NGC AZI 0.5 0.75
28 CIS 0.492857 0.74026
29 GAL SIA NGA GAL SIA SIA 0.490446 0.854839
30 BGC GAL SIA NGA GAL 0.490323 0.83871
31 NAG GAL SIA SIA 0.489933 0.854839
32 NGS FUC GLA SIA 0.477987 0.684211
33 BGC GAL SIA NGA GAL FUC 0.47561 0.83871
34 SIA GAL NGA GAL 0.473333 0.83871
35 CEQ BGC NGA GAL SIA SIA 0.47093 0.867647
36 BGC GAL SIA NAG 0.467532 0.83871
37 MBG NGC 0.463768 0.793651
38 NAG GAL PKM 0.46 0.854839
39 Z3Q GAL 5N6 0.458599 0.797101
40 0SG 0.458333 0.727273
41 GAL SIA SIA 0.455172 0.854839
42 GAL SIA NGA GAL 0.453947 0.854839
43 2FG SIA 0.449275 0.757576
44 BGC GAL NAG GAL SIA 0.447205 0.854839
45 GAL SIA NGA 0.445946 0.83871
46 BGC GAL SIA NGA SIA 0.445783 0.854839
47 BGC SPH GAL OCA 0.445205 0.84375
48 NAG GAL NAG GAL SIA 0.440994 0.854839
49 NAG 2FG SIA 0.44 0.787879
50 GAL 5N6 0.43662 0.83871
51 BGC GAL SIA 0.436242 0.822581
52 GAL NAG GAL SIA 0.407643 0.854839
53 JLS 0.401361 0.870968
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC 18C GAL; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: BGC 18C GAL SIA; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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