Receptor
PDB id Resolution Class Description Source Keywords
1C3M 2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HELTUBA COMPLEXED TO MAN(1-3)MAN HELIANTHUS TUBEROSUS AGGLUTININ JACALIN-RELATED BETA-PRISM MANNOSE SUGAR BINDPROTEIN
Ref.: HELIANTHUS TUBEROSUS LECTIN REVEALS A WIDESPREAD SC FOR MANNOSE-BINDING LECTINS. STRUCTURE FOLD.DES. V. 7 1473 1999
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
MAN MAN B:1;
Valid;
none;
submit data
326.298 n/a O(C1C...
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90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1C3M 2 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF HELTUBA COMPLEXED TO MAN(1-3)MAN HELIANTHUS TUBEROSUS AGGLUTININ JACALIN-RELATED BETA-PRISM MANNOSE SUGAR BINDPROTEIN
Ref.: HELIANTHUS TUBEROSUS LECTIN REVEALS A WIDESPREAD SC FOR MANNOSE-BINDING LECTINS. STRUCTURE FOLD.DES. V. 7 1473 1999
Members (2)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 1C3N - MAN MAN n/a n/a
2 1C3M - MAN MAN 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 426 families.
1 1C3N - MAN MAN n/a n/a
2 1C3M - MAN MAN 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 322 families.
1 1C3N - MAN MAN n/a n/a
2 1C3M - MAN MAN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: MAN MAN; Similar ligands found: 76
No: Ligand ECFP6 Tc MDL keys Tc
1 MAN MAN 1 1
2 GAL FUC 0.686275 0.970588
3 7D1 MAN 0.584906 0.942857
4 GLC IFM 0.571429 0.727273
5 BQZ 0.5 0.909091
6 ISX 0.5 0.761905
7 GAL GLA 0.5 0.941176
8 XYP IOB BGC 0.486111 0.780488
9 3CU GLC 0.483333 0.615385
10 RZM 0.482143 0.688889
11 MBG GLA 0.481481 0.888889
12 MAN G63 0.47541 0.6875
13 G2F BGC BGC BGC BGC BGC 0.46875 0.868421
14 MAN BMA BMA 0.467742 0.942857
15 NOJ GLC 0.466667 0.733333
16 XYS GLC GLC 0.462687 0.914286
17 LG9 GLC 0.460317 0.603774
18 GYP 0.458333 0.857143
19 MMA 0.458333 0.857143
20 AMG 0.458333 0.857143
21 MBG 0.458333 0.857143
22 GLC BGC BGC BGC 0.457627 0.941176
23 BGC BGC BGC BGC BGC BGC BGC 0.457627 0.941176
24 BGC BGC BGC BGC BGC BGC 0.457627 0.941176
25 BGC BGC BGC BGC BGC 0.457627 0.941176
26 BGC BGC BGC 0.457627 0.941176
27 MBG GAL 0.45614 0.888889
28 MGL GAL 0.45614 0.888889
29 BGC GLA GAL 0.454545 0.941176
30 IFM BGC 0.45 0.711111
31 RR7 GLC 0.448276 0.888889
32 XYS XYS AHR 0.447761 0.864865
33 XYP XYP AHR 0.447761 0.864865
34 MAN MAN BMA 0.446154 0.942857
35 NAG BMA 0.446154 0.6875
36 NAG GAL 0.444444 0.695652
37 BDF GLC 0.444444 0.916667
38 MAN MNM 0.442623 0.666667
39 NOY BGC 0.442623 0.666667
40 GLC DMJ 0.442623 0.733333
41 GLC GLC GLC GLC BGC GLC GLC 0.440678 0.941176
42 MAN BMA BMA BMA BMA BMA BMA 0.440678 0.941176
43 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.440678 0.941176
44 CJX 0.435484 0.680851
45 5QP 0.433333 0.941176
46 FRU GLC 0.433333 0.794872
47 BGC OXZ 0.42623 0.666667
48 9MR 0.42623 0.744186
49 XYP XYP AHR XYP 0.424658 0.864865
50 BGC FUC GAL 0.424242 0.914286
51 GLC BGC FUC GAL 0.424242 0.914286
52 GLC G6P 0.423729 0.744186
53 AHR FUB 0.423077 0.805556
54 A2G GAL 0.421875 0.695652
55 FUC GAL 0.416667 0.885714
56 XYS AHR XYP XYP XYP 0.416667 0.864865
57 BMA MAN MAN 0.415385 0.941176
58 GLC 7LQ 0.412698 0.885714
59 BGC XGP 0.412698 0.744186
60 GCU BGC 0.412698 0.861111
61 ABL 0.412698 0.666667
62 XYP XYP XYP AHR 0.410959 0.864865
63 MAN IPD MAN 0.409836 0.744186
64 DGO MAN 0.409836 0.914286
65 FRU BMA 0.409836 0.794872
66 GLC U8V 0.409836 0.864865
67 GAL FUC GAL 0.409091 0.914286
68 XYP XYP XYP AHR XYP 0.407895 0.864865
69 GDQ GLC 0.40625 0.666667
70 BGC GAL GLA 0.40625 0.941176
71 GLC GLC GLC 0.405797 0.942857
72 IPD MAN 0.403226 0.697674
73 GLC EDO GLC 0.403226 0.888889
74 GAL SO4 GAL 0.402985 0.627451
75 G2F SHG BGC BGC 0.4 0.842105
76 MGC GAL 0.4 0.666667
Similar Ligands (3D)
Ligand no: 1; Ligand: MAN MAN; Similar ligands found: 31
No: Ligand Similarity coefficient
1 MMA MAN 0.9802
2 DMJ MAN 0.9768
3 ZEL MAN 0.9637
4 MAN GLC 0.9624
5 MAN IFM 0.9559
6 BMA MAN 0.9430
7 GLC GLC 0.9325
8 MSX MAN 0.9314
9 IFM MAN 0.9292
10 MMA LDY 0.9235
11 GLC FRU 0.9233
12 DGO Z61 0.9199
13 Z5L MAN 0.9176
14 BMA GLA 0.9175
15 MAN MVL 0.9160
16 BGC GLC 0.9156
17 GLA GLC 0.9115
18 GLC GLA 0.9098
19 GMH GMH 0.9093
20 XMM 0.9053
21 TW7 GLC 0.8865
22 BGC GLA 0.8855
23 BMA MVL 0.8770
24 SER MAN 0.8766
25 MVL BMA 0.8669
26 GLA BEZ 0.8637
27 RNK 0.8586
28 EGA GLA 0.8573
29 DTK 0.8572
30 BGC BGC 0.8559
31 SGC GLC 0.8509
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1C3M; Ligand: MAN MAN; Similar sites found with APoc: 41
This union binding pocket(no: 1) in the query (biounit: 1c3m.bio1) has 9 residues
No: Leader PDB Ligand Sequence Similarity
1 5YRL GLC GLC 20.4225
2 5YRL GLC GLC 20.4225
3 2GUD MAN 34.4262
4 2NU5 NAG 34.4262
5 2GUC MAN 34.4262
6 2NU5 NAG 34.4262
7 2GUC MAN 34.4262
8 2GUD MAN 34.4262
9 2GUD MAN 34.4262
10 2NU5 NAG 34.4262
11 2GUC MAN 34.4262
12 2GUD MAN 34.4262
13 2GUC MAN 34.4262
14 2NU5 NAG 34.4262
15 2GUD BMA 34.4262
16 2GUD MAN 34.4262
17 2GUC MAN 34.4262
18 2NU5 NAG 34.4262
19 2GUD MAN 34.4262
20 2GUC MAN 34.4262
21 2NU5 NAG 34.4262
22 2NUO BGC 34.4262
23 2GUD BMA 34.4262
24 2HYR BGC GLC 34.4262
25 2HYR BGC GLC 34.4262
26 2HYQ MAN MAN 34.4262
27 2NUO BGC 34.4262
28 2NUO BGC 34.4262
29 2HYQ MAN MAN 34.4262
30 2HYR BGC GLC 34.4262
31 2HYQ MAN MAN 34.4262
32 2HYR BGC GLC 34.4262
33 2HYQ MAN MAN 34.4262
34 2NUO BGC 34.4262
35 2HYR BGC GLC 34.4262
36 2HYR BGC GLC 34.4262
37 5YRI GLC GLC 34.507
38 5YRF GLC GLC 34.507
39 5YRJ BGC GLC 34.507
40 5XFH BMA MAN MAN NAG GAL NAG 44.1379
41 3VY6 BGC BGC 46.8085
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