Receptor
PDB id Resolution Class Description Source Keywords
6FX1 2.1 Å NON-ENZYME: BINDING CRYSTAL STRUCTURE OF PHOLIOTA SQUARROSA LECTIN IN COMPLEX WI OCTASACCHARIDE PHOLIOTA SQUARROSA LECTIN OCTASACCHARIDE 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
FUC C4W NAG BMA MAN MAN NAG NAG I:101;
B:101;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.02;
Atoms found LESS than expected: % Diff = 0.02;
submit data
1463.38 n/a O=C(N...
MLI A:107;
D:107;
D:106;
H:105;
I:109;
E:108;
C:107;
B:109;
H:106;
K:105;
F:107;
D:108;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
102.046 C3 H2 O4 C(C(=...
FUC C4W NAG BMA H:101;
K:101;
J:101;
Valid;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.038;
Atoms found LESS than expected: % Diff = 0.038;
Atoms found LESS than expected: % Diff = 0.038;
submit data
732.71 n/a O=C(N...
FUC C4W NAG BMA MAN MAN NAG E:101;
G:101;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.023;
none;
submit data
1260.19 n/a O=C(N...
FUC C4W NAG BMA MAN NAG A:101;
L:101;
C:101;
F:101;
Valid;
Valid;
Valid;
Valid;
Atoms found LESS than expected: % Diff = 0.026;
Atoms found LESS than expected: % Diff = 0.026;
none;
none;
submit data
1098.04 n/a O=C(N...
FUC C4W NAG BMA MAN D:101;
Valid;
Atoms found LESS than expected: % Diff = 0.032;
submit data
894.851 n/a O=C(N...
OOA A:108;
Invalid;
none;
submit data
158.195 C8 H14 O3 CCCCC...
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 510 families.
1 6FX2 - FUC C4W NAG BMA MAN NAG GAL n/a n/a
2 6FX3 - FUC C4W NAG BMA MAN MAN NAG GAL SIA NAG n/a n/a
3 6FX1 - FUC C4W NAG BMA n/a n/a
70% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 6FX2 - FUC C4W NAG BMA MAN NAG GAL n/a n/a
2 6FX3 - FUC C4W NAG BMA MAN MAN NAG GAL SIA NAG n/a n/a
3 6FX1 - FUC C4W NAG BMA n/a n/a
50% Homology Family (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 6FX2 - FUC C4W NAG BMA MAN NAG GAL n/a n/a
2 6FX3 - FUC C4W NAG BMA MAN MAN NAG GAL SIA NAG n/a n/a
3 6FX1 - FUC C4W NAG BMA n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUC C4W NAG BMA MAN MAN NAG NAG; Similar ligands found: 91
No: Ligand ECFP6 Tc MDL keys Tc
1 FUC C4W NAG BMA MAN MAN NAG NAG 1 1
2 FUC C4W NAG BMA MAN MAN NAG 0.926606 1
3 FUC C4W NAG BMA MAN NAG 0.861111 1
4 FUC C4W NAG BMA MAN 0.738739 1
5 FUC C4W NAG BMA 0.703704 1
6 NAG BMA NAG MAN MAN NAG NAG 0.690265 0.942308
7 NAG NAG BMA MAN MAN NAG GAL NAG 0.675214 0.942308
8 NAG MAN BMA NDG MAN NAG GAL 0.666667 0.942308
9 NAG NAG FUL BMA MAN MAN NAG GAL 0.66129 0.875
10 NAG NAG BMA MAN MAN NAG NAG 0.65 0.875
11 NAG MAN MAN MAN NAG GAL NAG GAL 0.623932 0.942308
12 MAN BMA NAG NAG MAN NAG GAL GAL 0.623932 0.942308
13 ASN NAG NAG BMA MAN MAN NAG NAG 0.622047 0.945455
14 NAG MAN BMA MAN NAG GAL 0.615385 0.923077
15 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.609756 0.923077
16 M5G 0.593496 0.923077
17 NAG NAG BMA MAN MAN MAN MAN 0.5625 0.857143
18 NAG MAN MAN MAN NAG 0.557522 0.923077
19 WZ5 0.550847 0.867925
20 NAG NAG BMA MAN NAG 0.540323 0.875
21 NAG NAG BMA MAN MAN 0.533333 0.923077
22 NAG MAN MAN 0.508929 0.865385
23 MMA MAN NAG MAN NAG NAG 0.508475 0.924528
24 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.508065 0.865385
25 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.5 0.803571
26 WZ4 0.492424 0.821429
27 BMA Z4Y NAG 0.470588 0.849057
28 NAG MAN MMA 0.469027 0.867925
29 FUC BGC GAL NAG GAL 0.460317 0.884615
30 FUC GAL NAG GAL BGC 0.452381 0.884615
31 GAL GLC NAG GAL FUC 0.452381 0.884615
32 GLC NAG GAL GAL FUC 0.452381 0.884615
33 GLC GAL NAG GAL FUC A2G 0.451128 0.942308
34 A2G GAL NAG FUC GAL GLC 0.451128 0.942308
35 NAG MAN BMA 0.447368 0.865385
36 FUC BGC GAL NAG 0.447154 0.884615
37 NGA GLA GAL BGC 0.441667 0.865385
38 A2G GAL NAG FUC 0.44 0.942308
39 FUC GAL NAG A2G 0.44 0.942308
40 BGC GAL NAG GAL FUC FUC 0.438462 0.903846
41 GLC GAL NAG GAL FUC FUC 0.438462 0.903846
42 NAG GAL NAG 0.435897 0.923077
43 GAL NAG GAL BGC 0.434426 0.833333
44 LAT NAG GAL 0.433333 0.865385
45 GLC GAL NAG GAL 0.433333 0.865385
46 A2G GAL BGC FUC 0.428571 0.884615
47 NAG BMA MAN MAN MAN MAN 0.425197 0.865385
48 NAG GAL GAL NAG 0.425 0.923077
49 NAG GAL GAL NAG GAL 0.425 0.923077
50 GAL NAG GAL NAG GAL NAG 0.425 0.942308
51 NAG NAG NDG 0.424779 0.942308
52 NAG NAG NAG NAG NAG NAG 0.424779 0.942308
53 NDG NAG NAG NDG 0.424779 0.942308
54 NDG NAG NAG NAG 0.424779 0.942308
55 NAG NAG NAG NAG NDG 0.424779 0.942308
56 NAG NAG NAG NDG 0.424779 0.942308
57 NAG NAG NDG NAG 0.424779 0.942308
58 CTO 0.424779 0.942308
59 NDG NAG NAG 0.424779 0.942308
60 NAG NAG NAG NAG NAG 0.424779 0.942308
61 NAG NAG NAG NAG NAG NAG NAG NAG 0.424779 0.942308
62 NAG GAL BGC 0.423729 0.865385
63 MAN MAN NAG 0.423729 0.833333
64 DR2 0.418803 0.884615
65 FUL GAL NAG 0.418803 0.884615
66 FUC GAL NAG 0.418803 0.884615
67 NAG GAL FUC 0.418803 0.884615
68 NDG GAL FUC 0.418803 0.884615
69 FUC GAL NDG 0.418803 0.884615
70 GAL NAG FUC 0.418803 0.884615
71 A2G GLA FUC 0.415254 0.884615
72 A2G GAL FUC 0.415254 0.884615
73 NGA GAL FUC 0.415254 0.884615
74 FUC GLA A2G 0.415254 0.884615
75 FUC GAL A2G 0.415254 0.884615
76 BGA 0.414062 0.783333
77 1GN ACY GAL ACY 1GN BGC GAL BGC 0.414062 0.923077
78 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.414062 0.923077
79 NGA GAL BGC 0.413793 0.865385
80 NAG NAG NGT 0.41129 0.790323
81 GAL NAG MAN 0.410256 0.865385
82 Z4S NAG NAG 0.409836 0.875
83 BGC FUC GAL FUC A2G 0.409449 0.903846
84 GLC FUC GAL FUC A2G 0.409449 0.903846
85 NAG NAG BMA MAN 0.409449 0.857143
86 MAN MAN MAN BMA MAN MAN MAN 0.404762 0.641509
87 FUC GAL NAG GAL FUC 0.401575 0.903846
88 NAG GAL FUC FUC A2G 0.4 0.942308
89 FUC GAL NAG A2G FUC 0.4 0.942308
90 NAG NAG NAG NAG 0.4 0.875
91 NAG NAG NAG 0.4 0.875
Ligand no: 2; Ligand: FUC C4W NAG BMA; Similar ligands found: 104
No: Ligand ECFP6 Tc MDL keys Tc
1 FUC C4W NAG BMA 1 1
2 FUC C4W NAG BMA MAN 0.898876 1
3 FUC C4W NAG BMA MAN NAG 0.787879 1
4 FUC C4W NAG BMA MAN MAN NAG 0.754717 1
5 FUC C4W NAG BMA MAN MAN NAG NAG 0.703704 1
6 NAG NAG FUL BMA MAN MAN NAG GAL 0.568965 0.875
7 NAG NAG BMA MAN MAN 0.553398 0.923077
8 FUC BGC GAL NAG GAL 0.538462 0.884615
9 GAL NAG MAN 0.532609 0.865385
10 GAL NAG GAL 0.526316 0.833333
11 GAL BGC NAG GAL 0.526316 0.865385
12 NAG NAG BMA 0.520833 0.857143
13 NAG NDG BMA 0.520833 0.857143
14 GAL NAG GAL BGC 0.51 0.833333
15 NAG GAL GAL NAG GAL 0.5 0.923077
16 GAL NAG GAL NAG GAL NAG 0.5 0.942308
17 NAG GAL GAL NAG 0.5 0.923077
18 LAT NAG GAL 0.494949 0.865385
19 GLC GAL NAG GAL 0.494949 0.865385
20 NAG NAG BMA MAN MAN MAN MAN 0.491525 0.857143
21 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.487179 0.923077
22 NAG MAN BMA MAN NAG GAL 0.486486 0.923077
23 MAN BMA NAG NAG MAN NAG GAL GAL 0.482143 0.942308
24 NAG MAN MAN MAN NAG GAL NAG GAL 0.482143 0.942308
25 NAG NAG BMA MAN 0.47619 0.857143
26 NAG NAG BMA MAN MAN NAG GAL NAG 0.470085 0.942308
27 NAG MAN BMA NDG MAN NAG GAL 0.461538 0.942308
28 8VZ 0.460674 0.942308
29 NDG GAL 0.460674 0.865385
30 NLC 0.460674 0.865385
31 GAL NDG 0.460674 0.865385
32 NAG NAG NAG NAG NAG NAG NAG NAG 0.457447 0.942308
33 CTO 0.457447 0.942308
34 NAG NAG NAG NAG NDG 0.457447 0.942308
35 NAG NAG NDG 0.457447 0.942308
36 NDG NAG NAG NDG 0.457447 0.942308
37 NAG NAG NAG NAG NAG 0.457447 0.942308
38 NDG NAG NAG NAG 0.457447 0.942308
39 NAG NAG NAG NAG NAG NAG 0.457447 0.942308
40 NAG NAG NAG NDG 0.457447 0.942308
41 NDG NAG NAG 0.457447 0.942308
42 NAG NAG NDG NAG 0.457447 0.942308
43 FUC NDG GAL 0.453608 0.884615
44 GAL NDG FUC 0.453608 0.884615
45 MAG FUC GAL 0.453608 0.886792
46 NAG NAG BMA MAN NAG 0.452174 0.875
47 NAG FUC 0.450549 0.846154
48 M5G 0.445378 0.923077
49 NGA GAL BGC 0.443299 0.865385
50 GAL NAG GAL FUC 0.442308 0.884615
51 GLA NAG GAL FUC 0.442308 0.884615
52 FUC NAG GLA GAL 0.439252 0.867925
53 Z4S NAG NAG 0.436893 0.875
54 GAL NAG FUC 0.434343 0.884615
55 NDG GAL FUC 0.434343 0.884615
56 DR2 0.434343 0.884615
57 FUC GAL NAG 0.434343 0.884615
58 FUL GAL NAG 0.434343 0.884615
59 FUC GAL NDG 0.434343 0.884615
60 NAG GAL FUC 0.434343 0.884615
61 FUC GAL NAG A2G 0.431193 0.942308
62 A2G GAL NAG FUC 0.431193 0.942308
63 NGA GAL FUC 0.43 0.884615
64 A2G GAL FUC 0.43 0.884615
65 FUC GLA A2G 0.43 0.884615
66 A2G GLA FUC 0.43 0.884615
67 FUC GAL A2G 0.43 0.884615
68 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.429825 0.865385
69 NAG BMA NAG MAN MAN NAG NAG 0.42735 0.942308
70 NAG BMA MAN MAN MAN MAN 0.427273 0.865385
71 NAG NAG NAG 0.425743 0.875
72 NAG NAG NAG NAG 0.425743 0.875
73 NAG NAG BMA BMA 0.424528 0.859649
74 BMA BMA GLA BMA BMA 0.42268 0.634615
75 TCG 0.421569 0.833333
76 GLA GAL NAG 0.418367 0.865385
77 MAN BMA NAG 0.418367 0.865385
78 A2G GAL BGC FUC 0.418182 0.884615
79 FUC NAG GAL 0.415842 0.821429
80 NAG GDL 0.414894 0.923077
81 NDG NAG 0.414894 0.923077
82 CBS CBS 0.414894 0.923077
83 CBS 0.414894 0.923077
84 FUC BGC GAL NAG 0.412844 0.884615
85 NAG NAG NGT 0.411215 0.790323
86 MBG A2G 0.410526 0.867925
87 A2G MBG 0.410526 0.867925
88 NOJ NAG NAG 0.409524 0.877193
89 NOJ NAG NAG NAG 0.409524 0.894737
90 NAG MAN MAN 0.407767 0.865385
91 GLC NAG GAL GAL FUC 0.40708 0.884615
92 WZ5 0.40708 0.867925
93 GAL GLC NAG GAL FUC 0.40708 0.884615
94 FUC GAL NAG GAL BGC 0.40708 0.884615
95 NGA GLA GAL BGC 0.40566 0.865385
96 GLC GAL NAG GAL FUC FUC 0.405172 0.903846
97 BGC GAL NAG GAL FUC FUC 0.405172 0.903846
98 NAG A2G GAL 0.403846 0.923077
99 NAG NAG BMA MAN MAN NAG NAG 0.403226 0.875
100 GAL NGA GLA BGC GAL 0.401869 0.865385
101 BGA 0.401786 0.783333
102 GLA GAL NAG FUC GAL GLC 0.401709 0.884615
103 FUC BGC GAL 0.4 0.653846
104 DLD 0.4 0.803279
Ligand no: 3; Ligand: FUC C4W NAG BMA MAN MAN NAG; Similar ligands found: 88
No: Ligand ECFP6 Tc MDL keys Tc
1 FUC C4W NAG BMA MAN MAN NAG 1 1
2 FUC C4W NAG BMA MAN MAN NAG NAG 0.926606 1
3 FUC C4W NAG BMA MAN NAG 0.87963 1
4 FUC C4W NAG BMA MAN 0.805556 1
5 FUC C4W NAG BMA 0.754717 1
6 NAG NAG FUL BMA MAN MAN NAG GAL 0.719008 0.875
7 NAG NAG BMA MAN MAN NAG GAL NAG 0.677966 0.942308
8 NAG MAN BMA NDG MAN NAG GAL 0.669492 0.942308
9 NAG BMA NAG MAN MAN NAG NAG 0.635593 0.942308
10 MAN BMA NAG NAG MAN NAG GAL GAL 0.627119 0.942308
11 NAG MAN MAN MAN NAG GAL NAG GAL 0.627119 0.942308
12 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.626016 0.923077
13 NAG MAN BMA MAN NAG GAL 0.618644 0.923077
14 M5G 0.609756 0.923077
15 NAG NAG BMA MAN MAN NAG NAG 0.6 0.875
16 NAG NAG BMA MAN MAN 0.589744 0.923077
17 ASN NAG NAG BMA MAN MAN NAG NAG 0.575758 0.945455
18 NAG NAG BMA MAN MAN MAN MAN 0.565891 0.857143
19 NAG NAG BMA MAN NAG 0.556452 0.875
20 WZ5 0.528926 0.867925
21 NAG MAN MAN 0.513274 0.865385
22 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.512 0.865385
23 NAG MAN MAN MAN NAG 0.508475 0.923077
24 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.503876 0.803571
25 FUC BGC GAL NAG GAL 0.5 0.884615
26 NAG BMA MAN MAN MAN MAN 0.475806 0.865385
27 MMA MAN NAG MAN NAG NAG 0.47541 0.924528
28 BMA Z4Y NAG 0.475 0.849057
29 GAL NAG GAL BGC 0.475 0.833333
30 LAT NAG GAL 0.474576 0.865385
31 GLC GAL NAG GAL 0.474576 0.865385
32 WZ4 0.474074 0.821429
33 NAG GAL GAL NAG GAL 0.466102 0.923077
34 GAL NAG GAL NAG GAL NAG 0.466102 0.942308
35 NAG GAL GAL NAG 0.466102 0.923077
36 NAG NAG BMA MAN 0.459677 0.857143
37 NGA GLA GAL BGC 0.458333 0.865385
38 GAL NAG MAN 0.452174 0.865385
39 FUC BGC GAL NAG 0.451613 0.884615
40 FUC GAL NAG GAL BGC 0.445312 0.884615
41 GAL GLC NAG GAL FUC 0.445312 0.884615
42 GLC NAG GAL GAL FUC 0.445312 0.884615
43 GLC GAL NAG GAL FUC A2G 0.444444 0.942308
44 A2G GAL NAG FUC GAL GLC 0.444444 0.942308
45 MAN MAN MAN BMA MAN 0.444444 0.634615
46 1GN ACY GAL ACY 1GN BGC GAL BGC 0.440945 0.923077
47 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.440945 0.923077
48 NAG GAL NAG 0.440678 0.923077
49 NAG GAL BGC 0.440678 0.865385
50 GAL BGC NAG GAL 0.436975 0.865385
51 BGC GAL NAG GAL FUC FUC 0.431818 0.903846
52 GLC GAL NAG GAL FUC FUC 0.431818 0.903846
53 GAL NAG GAL 0.425 0.833333
54 NAG MAN MMA 0.423729 0.867925
55 NGA GAL BGC 0.418803 0.865385
56 NAG NAG NDG NAG 0.417391 0.942308
57 NAG NAG NAG NAG NAG NAG 0.417391 0.942308
58 NAG NAG NAG NAG NDG 0.417391 0.942308
59 NAG NAG NAG NDG 0.417391 0.942308
60 CTO 0.417391 0.942308
61 NDG NAG NAG NAG 0.417391 0.942308
62 NDG NAG NAG 0.417391 0.942308
63 NAG NAG NAG NAG NAG 0.417391 0.942308
64 NDG NAG NAG NDG 0.417391 0.942308
65 NAG NAG NAG NAG NAG NAG NAG NAG 0.417391 0.942308
66 NAG NAG NDG 0.417391 0.942308
67 BMA NGT MAN MAN 0.414062 0.645161
68 A2G GAL NAG FUC 0.410853 0.942308
69 A2G GAL BGC FUC 0.410853 0.884615
70 FUC GAL NAG A2G 0.410853 0.942308
71 GLA GAL NAG 0.410256 0.865385
72 MAN BMA NAG 0.410256 0.865385
73 NAG NAG BMA 0.409836 0.857143
74 NAG NDG BMA 0.409836 0.857143
75 MAN MAN MAN BMA MAN MAN MAN 0.409449 0.641509
76 FUC GAL A2G 0.408333 0.884615
77 NGA GAL FUC 0.408333 0.884615
78 A2G GLA FUC 0.408333 0.884615
79 A2G GAL FUC 0.408333 0.884615
80 FUC GLA A2G 0.408333 0.884615
81 GAL NGA GLA BGC GAL 0.408 0.865385
82 BGA 0.407692 0.783333
83 GLA GAL NAG FUC GAL GLC 0.407407 0.884615
84 NAG NAG NGT 0.404762 0.790323
85 NAG MAN BMA 0.403361 0.865385
86 MAN MAN MAN MAN MAN MAN MAN 0.403226 0.634615
87 Z4S NAG NAG 0.403226 0.875
88 3PV 0.403101 0.821429
Ligand no: 4; Ligand: FUC C4W NAG BMA MAN NAG; Similar ligands found: 90
No: Ligand ECFP6 Tc MDL keys Tc
1 FUC C4W NAG BMA MAN NAG 1 1
2 FUC C4W NAG BMA MAN MAN NAG 0.87963 1
3 FUC C4W NAG BMA MAN MAN NAG NAG 0.861111 1
4 FUC C4W NAG BMA 0.787879 1
5 FUC C4W NAG BMA MAN 0.722222 1
6 NAG NAG BMA MAN NAG 0.628319 0.875
7 NAG NAG FUL BMA MAN MAN NAG GAL 0.617886 0.875
8 NAG MAN BMA MAN NAG GAL 0.596491 0.923077
9 NAG NAG BMA MAN MAN NAG GAL NAG 0.588235 0.942308
10 NAG MAN BMA NDG MAN NAG GAL 0.579832 0.942308
11 NAG MAN MAN 0.572816 0.865385
12 NAG BMA NAG MAN MAN NAG NAG 0.57265 0.942308
13 NAG NAG BMA MAN MAN NAG NAG 0.540323 0.875
14 NAG MAN MAN MAN NAG GAL NAG GAL 0.537815 0.942308
15 MAN BMA NAG NAG MAN NAG GAL GAL 0.537815 0.942308
16 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.528 0.923077
17 BMA Z4Y NAG 0.527273 0.849057
18 ASN NAG NAG BMA MAN MAN NAG NAG 0.519084 0.945455
19 M5G 0.512 0.923077
20 NAG MAN MAN MAN NAG 0.508929 0.923077
21 WZ5 0.504274 0.867925
22 MMA MAN NAG MAN NAG NAG 0.5 0.924528
23 NAG NAG BMA MAN MAN 0.487395 0.923077
24 NAG NAG BMA MAN MAN MAN MAN 0.484615 0.857143
25 3PV 0.457627 0.821429
26 NGA GAL BGC 0.453704 0.865385
27 NAG NAG NAG NAG NAG NAG 0.45283 0.942308
28 NAG NAG NAG NDG 0.45283 0.942308
29 CTO 0.45283 0.942308
30 NAG NAG NDG NAG 0.45283 0.942308
31 NAG NAG NAG NAG NAG 0.45283 0.942308
32 NDG NAG NAG 0.45283 0.942308
33 NAG NAG NAG NAG NDG 0.45283 0.942308
34 NAG NAG NDG 0.45283 0.942308
35 NAG NAG NAG NAG NAG NAG NAG NAG 0.45283 0.942308
36 NDG NAG NAG NDG 0.45283 0.942308
37 NDG NAG NAG NAG 0.45283 0.942308
38 GAL NAG MAN 0.449541 0.865385
39 GAL BGC NAG GAL 0.446429 0.865385
40 FUC BGC GAL NAG GAL 0.439024 0.884615
41 NAG NAG NGT 0.435897 0.790323
42 Z4S NAG NAG 0.434783 0.875
43 A2G GAL NAG FUC 0.429752 0.942308
44 A2G GAL BGC FUC 0.429752 0.884615
45 FUC GAL NAG A2G 0.429752 0.942308
46 A2G GAL FUC 0.428571 0.884615
47 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.428571 0.865385
48 A2G GLA FUC 0.428571 0.884615
49 FUC GAL A2G 0.428571 0.884615
50 NGA GAL FUC 0.428571 0.884615
51 FUC GLA A2G 0.428571 0.884615
52 WZ4 0.428571 0.821429
53 BGA 0.42623 0.783333
54 NAG NAG NAG NAG 0.424779 0.875
55 NAG NAG NAG 0.424779 0.875
56 MBG A2G 0.424528 0.867925
57 A2G MBG 0.424528 0.867925
58 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.423077 0.803571
59 GAL NAG GAL 0.421053 0.833333
60 FUL GAL NAG 0.419643 0.884615
61 DR2 0.419643 0.884615
62 FUC GAL NDG 0.419643 0.884615
63 GAL NAG FUC 0.419643 0.884615
64 NDG GAL FUC 0.419643 0.884615
65 NAG GAL FUC 0.419643 0.884615
66 FUC GAL NAG 0.419643 0.884615
67 NAG NAG BMA 0.417391 0.857143
68 NAG NDG BMA 0.417391 0.857143
69 NDG NAG 0.415094 0.923077
70 CBS CBS 0.415094 0.923077
71 NAG GDL 0.415094 0.923077
72 CBS 0.415094 0.923077
73 MAN MAN NAG 0.412281 0.833333
74 GAL NAG GAL BGC 0.411765 0.833333
75 NAG MAN BMA 0.410714 0.865385
76 NOJ NAG NAG NAG 0.410256 0.894737
77 LAT NAG GAL 0.410256 0.865385
78 GLC GAL NAG GAL 0.410256 0.865385
79 NOJ NAG NAG 0.410256 0.877193
80 NAG MAN MMA 0.40708 0.867925
81 NGA GLA GAL BGC 0.40678 0.865385
82 NAG GAL GAL NAG 0.401709 0.923077
83 NAG GAL GAL NAG GAL 0.401709 0.923077
84 DLD 0.401709 0.803279
85 GAL NAG GAL NAG GAL NAG 0.401709 0.942308
86 FUC BGC GAL NAG 0.401639 0.884615
87 NAG AMU NAG AMV 0.401639 0.943396
88 UMG 0.401575 0.830508
89 NAG GAL FUC FUC A2G 0.4 0.942308
90 FUC GAL NAG A2G FUC 0.4 0.942308
Ligand no: 5; Ligand: FUC C4W NAG BMA MAN; Similar ligands found: 93
No: Ligand ECFP6 Tc MDL keys Tc
1 FUC C4W NAG BMA MAN 1 1
2 FUC C4W NAG BMA 0.898876 1
3 FUC C4W NAG BMA MAN MAN NAG 0.805556 1
4 FUC C4W NAG BMA MAN MAN NAG NAG 0.738739 1
5 FUC C4W NAG BMA MAN NAG 0.722222 1
6 NAG NAG FUL BMA MAN MAN NAG GAL 0.618644 0.875
7 NAG NAG BMA MAN MAN 0.609524 0.923077
8 FUC BGC GAL NAG GAL 0.609524 0.884615
9 GAL NAG GAL BGC 0.584158 0.833333
10 GAL NAG GAL NAG GAL NAG 0.575758 0.942308
11 NAG GAL GAL NAG 0.575758 0.923077
12 NAG GAL GAL NAG GAL 0.575758 0.923077
13 LAT NAG GAL 0.57 0.865385
14 GLC GAL NAG GAL 0.57 0.865385
15 NAG NAG BMA MAN 0.561905 0.857143
16 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.537815 0.923077
17 NAG NAG BMA MAN MAN MAN MAN 0.528926 0.857143
18 NAG MAN MAN MAN NAG GAL NAG GAL 0.521739 0.942308
19 MAN BMA NAG NAG MAN NAG GAL GAL 0.521739 0.942308
20 MAN BMA NAG 0.510204 0.865385
21 GLA GAL NAG 0.510204 0.865385
22 NAG NAG BMA MAN MAN NAG GAL NAG 0.508333 0.942308
23 GAL NAG MAN 0.5 0.865385
24 NAG MAN BMA NDG MAN NAG GAL 0.5 0.942308
25 M5G 0.495868 0.923077
26 GAL NAG GAL 0.495146 0.833333
27 NAG BMA MAN MAN MAN MAN 0.482143 0.865385
28 FUC BGC GAL NAG 0.481818 0.884615
29 GAL BGC NAG GAL 0.480769 0.865385
30 NGA GLA GAL BGC 0.476636 0.865385
31 NAG NDG BMA 0.47619 0.857143
32 NAG NAG BMA 0.47619 0.857143
33 NAG MAN BMA MAN NAG GAL 0.474576 0.923077
34 GLC NAG GAL GAL FUC 0.473684 0.884615
35 GAL GLC NAG GAL FUC 0.473684 0.884615
36 FUC GAL NAG GAL BGC 0.473684 0.884615
37 GAL NGA GLA BGC GAL 0.472222 0.865385
38 NAG GAL NAG 0.471154 0.923077
39 GLC GAL NAG GAL FUC FUC 0.470085 0.903846
40 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.470085 0.865385
41 BGC GAL NAG GAL FUC FUC 0.470085 0.903846
42 NAG BMA NAG MAN MAN NAG NAG 0.466667 0.942308
43 GLA GAL NAG FUC GAL GLC 0.466102 0.884615
44 BGC GAL NAG GAL 0.462264 0.865385
45 GAL NAG GAL GLC 0.462264 0.865385
46 A2G GAL NAG FUC GAL GLC 0.459016 0.942308
47 GLC GAL NAG GAL FUC A2G 0.459016 0.942308
48 NAG GAL BGC 0.457143 0.865385
49 GAL NAG GAL FUC 0.445455 0.884615
50 GLA NAG GAL FUC 0.445455 0.884615
51 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.443478 0.923077
52 1GN ACY GAL ACY 1GN BGC GAL BGC 0.443478 0.923077
53 NAG NAG BMA BMA 0.441441 0.859649
54 NAG NAG BMA MAN MAN NAG NAG 0.440945 0.875
55 ASN NAG NAG BMA MAN MAN NAG NAG 0.425373 0.945455
56 WZ5 0.423729 0.867925
57 FUC GAL NAG A2G 0.422414 0.942308
58 A2G GAL NAG FUC 0.422414 0.942308
59 BGC GAL NAG SIA GAL 0.42029 0.909091
60 SIA GAL NAG GAL GLC 0.42029 0.909091
61 SIA GAL NAG GAL BGC 0.42029 0.909091
62 NAG NAG BMA MAN NAG 0.419355 0.875
63 NLC 0.418367 0.865385
64 NDG GAL 0.418367 0.865385
65 GAL NDG 0.418367 0.865385
66 8VZ 0.418367 0.942308
67 NDG NAG NAG NDG 0.417476 0.942308
68 NAG NAG NAG NAG NAG NAG NAG NAG 0.417476 0.942308
69 NAG NAG NDG 0.417476 0.942308
70 NDG NAG NAG NAG 0.417476 0.942308
71 CTO 0.417476 0.942308
72 NAG NAG NAG NAG NDG 0.417476 0.942308
73 NDG NAG NAG 0.417476 0.942308
74 NAG NAG NDG NAG 0.417476 0.942308
75 NAG NAG NAG NAG NAG 0.417476 0.942308
76 NAG NAG NAG NAG NAG NAG 0.417476 0.942308
77 NAG NAG NAG NDG 0.417476 0.942308
78 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.416 0.803571
79 GAL NDG FUC 0.415094 0.884615
80 FUC NDG GAL 0.415094 0.884615
81 MAG FUC GAL 0.415094 0.886792
82 A2G GAL BGC FUC 0.410256 0.884615
83 NAG FUC 0.41 0.846154
84 A2G GAL FUC 0.407407 0.884615
85 A2G GLA FUC 0.407407 0.884615
86 FUC GLA A2G 0.407407 0.884615
87 FUC GAL A2G 0.407407 0.884615
88 NGA GAL FUC 0.407407 0.884615
89 BGC BGC BGC BGC BGC BGC BGC BGC 0.405941 0.634615
90 NGA GAL BGC 0.40566 0.865385
91 FUC NAG GLA GAL 0.405172 0.867925
92 Z4S NAG NAG 0.401786 0.875
93 TCG 0.4 0.833333
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 6FX2; Ligand: FUC C4W NAG 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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