Receptor
PDB id Resolution Class Description Source Keywords
1OKE 2.4 Å NON-ENZYME: TOXIN_VIRAL CRYSTAL STRUCTURE OF THE DENGUE 2 VIRUS ENVELOPE PROTEIN IN COMPLEX WITH N-OCTYL-BETA-D-GLUCOSIDE DENGUE VIRUS TYPE 2 VIRAL PROTEIN MEMBRANE FUSION FLAVIVIRUS FUSION PEPTIDE PROTEIN LOW-PH CONFORMATIONAL CHANGE CLASS 2 FUSION PROTE
Ref.: A LIGAND-BINDING POCKET IN THE DENGUE VIRUS ENVELOPE GLYCOPROTEIN. PROC.NATL.ACAD.SCI.USA V. 100 6986 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
BOG A:1400;
B:1400;
Valid;
Valid;
none;
none;
submit data
292.369 C14 H28 O6 CCCCC...
NAG A:1395;
B:1395;
Invalid;
Invalid;
none;
none;
submit data
221.208 C8 H15 N O6 CC(=O...
NAG NAG FUL BMA A:1396;
B:1396;
Part of Protein;
Part of Protein;
none;
none;
submit data n/a n/a n/a n/a
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1OKE 2.4 Å NON-ENZYME: TOXIN_VIRAL CRYSTAL STRUCTURE OF THE DENGUE 2 VIRUS ENVELOPE PROTEIN IN COMPLEX WITH N-OCTYL-BETA-D-GLUCOSIDE DENGUE VIRUS TYPE 2 VIRAL PROTEIN MEMBRANE FUSION FLAVIVIRUS FUSION PEPTIDE PROTEIN LOW-PH CONFORMATIONAL CHANGE CLASS 2 FUSION PROTE
Ref.: A LIGAND-BINDING POCKET IN THE DENGUE VIRUS ENVELOPE GLYCOPROTEIN. PROC.NATL.ACAD.SCI.USA V. 100 6986 2003
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 60 families.
1 1OKE - BOG C14 H28 O6 CCCCCCCCO[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 42 families.
1 1OKE - BOG C14 H28 O6 CCCCCCCCO[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 34 families.
1 1OKE - BOG C14 H28 O6 CCCCCCCCO[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: BOG; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 BOG 1 1
2 HSJ 1 1
3 BNG 1 1
4 KGM 0.976744 1
5 B7G 0.976744 1
6 GLC HEX 0.909091 0.975
7 HEX GLC 0.909091 0.975
8 JZR 0.909091 0.975
9 BHG 0.909091 0.975
10 AFO 0.886364 0.904762
11 DEG 0.76087 0.9
12 LMT 0.719298 0.952381
13 UMQ 0.719298 0.952381
14 LMU 0.719298 0.952381
15 DMU 0.719298 0.952381
16 DR4 0.637931 0.904762
17 XNS 0.637931 0.904762
18 FK9 0.607143 0.904762
19 GLA GAL GLC NBU 0.548387 0.880952
20 BHE 0.545455 0.930233
21 BGB 0.542857 0.930233
22 BGL 0.526316 1
23 EBG 0.509091 0.785714
24 EBQ 0.509091 0.785714
25 6UZ 0.507463 0.795455
26 OPM MAN MAN 0.507246 0.928571
27 BHG FUC 0.492537 0.930233
28 FUC BHG 0.492537 0.930233
29 4YA 0.492537 0.930233
30 AOG FUC 0.485714 0.78
31 FEE 0.480519 0.754717
32 GLA GAL BGC 5VQ 0.47619 0.833333
33 GM3 0.473684 0.769231
34 MA4 0.465753 0.833333
35 AGH 0.461538 0.754717
36 PBS 0.461538 0.754717
37 0SH 0.461538 0.754717
38 DA8 0.458333 0.930233
39 10M 0.457143 0.888889
40 RGG 0.454545 0.731707
41 CM5 0.452055 0.833333
42 SOG 0.45 0.883721
43 MAN MMA 0.440678 0.744186
44 MMA 0.44 0.756098
45 AMG 0.44 0.756098
46 MBG 0.44 0.756098
47 GYP 0.44 0.756098
48 AIG FUC 0.43662 0.78
49 MAL EDO 0.435484 0.744186
50 03F 0.433735 0.740741
51 HTG 0.433333 0.883721
52 AD7 0.432432 0.769231
53 BGA 0.428571 0.727273
54 GAL SPH NER 0.428571 0.754717
55 BGC GLA 0.423729 0.738095
56 GLA BGC 0.423729 0.738095
57 MAN BMA 0.423729 0.738095
58 GAL GAL 0.423729 0.738095
59 LAK 0.423729 0.738095
60 MLB 0.423729 0.738095
61 BMA GLA 0.423729 0.738095
62 GLA BMA 0.423729 0.738095
63 GLA GLC 0.423729 0.738095
64 1O2 0.421687 0.909091
65 MK0 0.421053 0.784314
66 TRE 0.42 0.738095
67 GLA EGA 0.419355 0.785714
68 3TF 0.416667 0.909091
69 DGD 0.416667 0.888889
70 JLS 0.413793 0.740741
71 DLG FUC 0.410959 0.930233
72 GLC GLC GLC GLC BGC 0.409836 0.738095
73 GLC GLC GLC GLC GLC BGC 0.409836 0.738095
74 SER MAN 0.409836 0.625
75 MAN MAN MAN 0.409836 0.738095
76 GLC GLC GLC 0.409836 0.738095
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1OKE; Ligand: BOG; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 1oke.bio1) has 15 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1OKE; Ligand: BOG; Similar sites found: 18
This union binding pocket(no: 2) in the query (biounit: 1oke.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 3PE2 E1B 0.04657 0.40541 2.07715
2 4CLI 5P8 0.04334 0.40543 2.14067
3 5MW8 ATP 0.007143 0.42429 2.28426
4 4USF 6UI 0.01646 0.408 2.63158
5 4JB1 FAD 0.04548 0.40977 2.64706
6 2X4Z X4Z 0.0171 0.41881 3.04054
7 4IJP 1EH 0.006853 0.42168 4.18994
8 4KQL 1SG 0.04944 0.40066 4.31472
9 3TKI S25 0.01857 0.43148 4.64396
10 5EOB 5QQ 0.04685 0.41048 5.64263
11 2Y91 98J 0.01027 0.40995 5.66038
12 3NW7 LGV 0.0182 0.42713 5.86319
13 1RE8 BD2 0.03164 0.41439 6
14 5U98 1KX 0.01495 0.42801 8.08081
15 3VOT ADP 0.007389 0.40736 8.37563
16 3Q8G PEE 0.0285 0.42291 9.0625
17 3S7O LBV 0.02812 0.40546 9.62099
18 5V3D FCN 0.01883 0.40135 11.0345
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