Receptor
PDB id Resolution Class Description Source Keywords
6FX2 1.7 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF PHOLIOTA SQUARROSA LECTIN IN COMPLEX WI DECASACCHARIDE PHOLIOTA SQUARROSA LECTIN DECASACCHARIDE SUGAR BINDING PROTEIN
Ref.: RECOGNITION OF COMPLEX CORE-FUCOSYLATED N-GLYCANS B LECTIN. ANGEW. CHEM. INT. ED. ENGL. V. 57 10178 2018
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
C4W NAG FUC BMA MAN MAN NAG GAL NAG C:1;
 Valid;
 none;
 submit data
1650.51 n/a O=C(N...
C4W NAG FUC BMA MAN NAG GAL D:1;
 Valid;
 none;
 submit data
1285.18 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
6FX2 1.7 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF PHOLIOTA SQUARROSA LECTIN IN COMPLEX WI DECASACCHARIDE PHOLIOTA SQUARROSA LECTIN DECASACCHARIDE SUGAR BINDING PROTEIN
Ref.: RECOGNITION OF COMPLEX CORE-FUCOSYLATED N-GLYCANS B LECTIN. ANGEW. CHEM. INT. ED. ENGL. V. 57 10178 2018
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 6FX2 - C4W NAG FUC BMA MAN NAG GAL n/a n/a
2 6FX3 - C4W NAG FUC BMA MAN NAG GAL SIA n/a n/a
3 6FX1 - C4W NAG FUC BMA MAN NAG n/a n/a
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 6A87 - FUC C6 H12 O5 C[C@H]1[C@....
2 6FX2 - C4W NAG FUC BMA MAN NAG GAL n/a n/a
3 6FX3 - C4W NAG FUC BMA MAN NAG GAL SIA n/a n/a
4 6FX1 - C4W NAG FUC BMA MAN NAG n/a n/a
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 6A87 - FUC C6 H12 O5 C[C@H]1[C@....
2 6FX2 - C4W NAG FUC BMA MAN NAG GAL n/a n/a
3 6FX3 - C4W NAG FUC BMA MAN NAG GAL SIA n/a n/a
4 6FX1 - C4W NAG FUC BMA MAN NAG n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: C4W NAG FUC BMA MAN MAN NAG GAL NAG; Similar ligands found: 66
No: Ligand ECFP6 Tc MDL keys Tc
1 C4W NAG FUC BMA MAN MAN NAG GAL NAG 1 1
2 C4W NAG FUC BMA MAN NAG GAL 0.855856 1
3 C4W NAG FUC BMA MAN MAN NAG 0.77686 0.864407
4 C4W NAG FUC BMA MAN MAN NAG NAG 0.775 0.864407
5 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.737931 0.95082
6 NAG NAG BMA MAN MAN NAG GAL NAG 0.70339 0.844828
7 NDG BMA MAN MAN NAG GAL NAG 0.694915 0.844828
8 C4W NAG FUC BMA MAN NAG 0.688525 0.864407
9 NAG NAG FUL BMA MAN MAN NAG GAL 0.688 0.790323
10 NAG BMA MAN MAN NAG GAL NAG GAL 0.652542 0.844828
11 BMA MAN MAN NAG GAL NAG 0.644068 0.827586
12 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.637097 0.827586
13 C4W NAG FUC BMA MAN NAG GAL SIA 0.636986 0.95082
14 NAG NAG BMA MAN MAN NAG NAG 0.624 0.790323
15 NDG BMA MAN MAN NAG MAN MAN 0.620968 0.827586
16 C4W NAG FUC BMA MAN 0.609756 0.864407
17 NAG ASN NAG BMA MAN MAN NAG NAG 0.598485 0.852459
18 NAG NAG BMA MAN MAN MAN MAN 0.589147 0.774194
19 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.586466 0.836066
20 C4W NAG FUC BMA 0.575 0.864407
21 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.569106 0.775862
22 NAG NAG MAN MAN MAN 0.561983 0.827586
23 YZ0 MAN MAN NAG MAN 0.553719 0.779661
24 NAG NAG BMA MAN NAG 0.55 0.844828
25 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.536 0.775862
26 MAN MAN MAN NAG NAG 0.533898 0.827586
27 NDG NAG GLA NAG GLC RAM 0.530769 0.844828
28 NDG GLA NAG GLC RAM 0.530769 0.844828
29 BGC GAL NAG NAG GAL GAL 0.524194 0.827586
30 NDG GLA GLC NAG GLC RAM 0.518797 0.844828
31 YZ0 MAN Z4Y NAG MAN 0.496296 0.741935
32 BGC FUC GAL NAG GAL 0.488189 0.793103
33 MMA MAN NAG MAN NAG NAG 0.487805 0.830508
34 GLC GAL NAG GAL FUC A2G 0.466667 0.844828
35 GAL NAG GAL NAG GAL 0.466667 0.827586
36 BGC GAL NAG GAL FUC 0.457364 0.793103
37 BGC GAL NAG GAL FUC FUC 0.454545 0.810345
38 NAG GAL NAG GAL 0.454545 0.827586
39 NAG GAL NAG GAL NAG GAL 0.454545 0.844828
40 NAG BMA MAN MAN MAN MAN 0.453125 0.775862
41 BMA Z4Y NAG 0.451613 0.762712
42 MMA MAN NAG 0.449153 0.779661
43 BGC GAL GLA NGA 0.447154 0.775862
44 1GN ACY GAL 1GN BGC ACY GAL BGC 0.44186 0.827586
45 BGC FUC GAL NAG 0.440945 0.793103
46 MAN NAG GAL 0.440678 0.775862
47 NAG NAG BMA MAN 0.4375 0.774194
48 GAL NAG GAL 0.436975 0.775862
49 BGC GAL FUC A2G 0.434109 0.793103
50 BGC GAL NAG 0.429752 0.775862
51 NAG GAL NAG 0.429752 0.827586
52 GLC GAL NAG GAL FUC GLA 0.42963 0.793103
53 NAG GAL BGC GAL 0.42623 0.775862
54 BMA MAN NAG 0.421488 0.775862
55 GAL FUC A2G 0.421488 0.793103
56 BGC GAL NGA 0.408333 0.775862
57 GAL NAG GAL FUC FUC 0.407692 0.810345
58 NAG NAG NAG NAG NAG NAG NAG NAG 0.40678 0.844828
59 NAG NAG NAG NAG NAG NAG 0.40678 0.844828
60 NAG NAG NAG NAG NAG 0.40678 0.844828
61 NDG NAG NAG NAG NAG 0.40678 0.844828
62 HSH A2G FUC 0.40458 0.712121
63 BGC FUC GAL FUC A2G 0.40458 0.810345
64 KDO MAN MAN MAN MAN MAN 0.402778 0.6
65 NAG GAL FUC A2G 0.401639 0.793103
66 NAG NAG BMA 0.4 0.774194
Ligand no: 2; Ligand: C4W NAG FUC BMA MAN NAG GAL; Similar ligands found: 60
No: Ligand ECFP6 Tc MDL keys Tc
1 C4W NAG FUC BMA MAN NAG GAL 1 1
2 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.855856 1
3 C4W NAG FUC BMA MAN NAG 0.747748 0.864407
4 C4W NAG FUC BMA MAN NAG GAL SIA 0.719697 0.95082
5 C4W NAG FUC BMA MAN MAN NAG 0.691667 0.864407
6 C4W NAG FUC BMA MAN MAN NAG NAG 0.647541 0.864407
7 NAG NAG FUL BMA MAN MAN NAG GAL 0.644628 0.790323
8 C4W NAG FUC BMA MAN MAN NAG GAL SIA NAG 0.643836 0.95082
9 C4W NAG FUC BMA 0.638889 0.864407
10 C4W NAG FUC BMA MAN 0.589744 0.864407
11 BMA MAN MAN NAG GAL NAG 0.582609 0.827586
12 NAG NAG BMA MAN MAN NAG GAL NAG 0.575 0.844828
13 NDG BMA MAN MAN NAG GAL NAG 0.566667 0.844828
14 NAG BMA MAN MAN NAG GAL NAG GAL 0.564103 0.844828
15 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.552846 0.827586
16 NDG NAG GLA NAG GLC RAM 0.532787 0.844828
17 NDG GLA NAG GLC RAM 0.532787 0.844828
18 NDG GLA GLC NAG GLC RAM 0.52 0.844828
19 NAG NAG MAN MAN MAN 0.512821 0.827586
20 NAG NAG BMA MAN MAN MAN MAN 0.507812 0.774194
21 NAG NAG BMA MAN MAN NAG NAG 0.503937 0.790323
22 NDG BMA MAN MAN NAG MAN MAN 0.5 0.827586
23 NAG ASN NAG BMA MAN MAN NAG NAG 0.485075 0.852459
24 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.483607 0.775862
25 YZ0 MAN MAN NAG MAN 0.478992 0.779661
26 MAN NAG GAL 0.476636 0.775862
27 BGC GAL NAG NAG GAL GAL 0.475 0.827586
28 ALA ASN LYS NAG NAG BMA MAN MAN NAG NAG 0.474074 0.836066
29 BMA Z4Y NAG 0.473684 0.762712
30 NAG GAL BGC GAL 0.472727 0.775862
31 MAN MAN MAN NAG NAG 0.469565 0.827586
32 BGC FUC GAL NAG GAL 0.46281 0.793103
33 MMA MAN NAG MAN NAG NAG 0.461538 0.830508
34 GAL NAG GAL 0.458716 0.775862
35 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.451613 0.775862
36 NAG NAG BMA MAN NAG 0.45 0.844828
37 NAG NAG BMA 0.442478 0.774194
38 GAL NAG GAL NAG GAL 0.438596 0.827586
39 NAG GAL NAG GAL 0.426087 0.827586
40 NAG GAL NAG GAL NAG GAL 0.426087 0.844828
41 GYP GZL NAG 0.421488 0.741935
42 NAG GAL FUC A2G 0.419643 0.793103
43 GAL FUC A2G 0.415929 0.793103
44 1GN ACY GAL 1GN BGC ACY GAL BGC 0.414634 0.827586
45 BGC GAL NGA 0.414414 0.775862
46 NAG NAG NAG NAG NAG 0.412844 0.844828
47 NAG NAG NAG NAG NAG NAG 0.412844 0.844828
48 NDG NAG NAG NAG NAG 0.412844 0.844828
49 NAG NAG NAG NAG NAG NAG NAG NAG 0.412844 0.844828
50 NAG NAG BMA MAN 0.409836 0.774194
51 BGC GAL NAG GAL FUC 0.408 0.793103
52 YZ0 MAN Z4Y NAG MAN 0.407407 0.741935
53 BGC GAL FUC A2G 0.406504 0.793103
54 BGC GAL NAG GAL FUC FUC 0.40625 0.810345
55 BMA MAN NAG 0.403509 0.775862
56 GAL NAG FUC GAL 0.403361 0.793103
57 NAG BMA MAN MAN MAN MAN 0.403226 0.775862
58 GAL NAG GAL FUC FUC 0.401639 0.810345
59 BGC GAL NGA GAL 0.4 0.775862
60 NAG GAL FUC GLA 0.4 0.793103
Similar Ligands (3D)
Ligand no: 1; Ligand: C4W NAG FUC BMA MAN MAN NAG GAL NAG; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: C4W NAG FUC BMA MAN NAG GAL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6FX2; Ligand: C4W NAG FUC BMA MAN NAG GAL; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 6fx2.bio2) has 10 residues
No: Leader PDB Ligand Sequence Similarity
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