Receptor
PDB id Resolution Class Description Source Keywords
1W8F 1.05 Å NON-ENZYME: BINDING PSEUDOMONAS AERUGINOSA LECTIN II (PA-IIL)COMPLEXED WITH LACT FUCOPENTAOSE V(LNPFV) PSEUDOMONAS AERUGINOSA SUGAR BINDING PROTEIN PENTASSACHARIDE CYSTIC FIROSIS INFECLUNGS
Ref.: STRUCTURAL BASIS FOR THE INTERACTION BETWEEN HUMAN OLIGOSACCHARIDES AND THE BACTERIAL LECTIN PA-IIL OF PSEUDOMONAS AERUGINOSA. BIOCHEM.J. V. 389 325 2005
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1116;
A:1117;
B:1116;
B:1117;
C:1116;
C:1117;
D:1116;
D:1117;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
none;
none;
none;
none;
submit data
40.078 Ca [Ca+2...
GOL B:1123;
D:1123;
Invalid;
Invalid;
none;
none;
submit data
92.094 C3 H8 O3 C(C(C...
SO4 A:1115;
B:1115;
C:1115;
D:1115;
Invalid;
Invalid;
Invalid;
Invalid;
none;
none;
none;
none;
submit data
96.063 O4 S [O-]S...
BGC FUC GAL NAG E:1;
Valid;
none;
Ka = 15600000000 M^-1
691.633 n/a O=C(N...
BGC FUC GAL G:1;
Valid;
none;
Ka = 15600000000 M^-1
488.439 n/a O(C1C...
BGC FUC GAL NAG GAL H:1;
F:1;
Valid;
Valid;
none;
none;
Ka = 15600000000 M^-1
853.774 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1W8H 1.75 Å NON-ENZYME: BINDING STRUCTURE OF PSEUDOMONAS AERUGINOSA LECTIN II (PA-IIL)COMPLE LEWISA TRISACCHARIDE PSEUDOMONAS AERUGINOSA SUGAR BINDING PROTEIN LECTIN SUGAR LEWIS A CYSTIC FIBROS
Ref.: STRUCTURAL BASIS FOR THE INTERACTION BETWEEN HUMAN OLIGOSACCHARIDES AND THE BACTERIAL LECTIN PA-IIL OF PSEUDOMONAS AERUGINOSA. BIOCHEM.J. V. 389 325 2005
Members (20)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 552 families.
1 2JDH Kd = 310 nM NAG TA5 FUC n/a n/a
2 5A3O Kd = 18.5 uM MMA DH6 n/a n/a
3 1OXC - FUC C6 H12 O5 C[C@H]1[C@....
4 3ZDV Kd = 3.3 uM MMA F1A n/a n/a
5 2JDP Kd = 0.25 uM MFU C7 H14 O5 C[C@H]1[C@....
6 1W8H Ka = 47000000000 M^-1 NDG GAL FUC n/a n/a
7 1UZV Kd = 0.6667 uM FUC C6 H12 O5 C[C@H]1[C@....
8 2BP6 - GXL C6 H12 O6 C([C@H]1[C....
9 6R35 - NAG FUC GAL n/a n/a
10 2JDY Kd = 42.9 uM MMA C7 H14 O6 CO[C@@H]1[....
11 3DCQ ic50 = 5.94 uM 2G0 C25 H45 N5 O8 C[C@H]1[C@....
12 1W8F Ka = 15600000000 M^-1 BGC FUC GAL NAG n/a n/a
13 1OUR - MAN C6 H12 O6 C([C@@H]1[....
14 2JDK Kd = 0.000000064 M NAG T45 FUC n/a n/a
15 2VUC - FUC C6 H12 O5 C[C@H]1[C@....
16 6S5P - LYS ALA ALA LYS ALA CYS NH2 ZDC n/a n/a
17 2BOJ Kd = 1.7 uM ARW C6 H12 O5 CO[C@H]1[C....
18 1OVP - BDF C6 H12 O6 C1[C@H]([C....
19 1GZT ic50 = 0.25 mM FUC C6 H12 O5 C[C@H]1[C@....
20 2JDN Kd = 2.78 uM MMA C7 H14 O6 CO[C@@H]1[....
70% Homology Family (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 426 families.
1 5MAY Kd = 0.29 uM FUL PK6 n/a n/a
2 5MB1 Kd = 0.000000064 M FUL 7KT n/a n/a
3 4UT5 - GAL NAG GAL FUC n/a n/a
4 1OVS - MAN MAN n/a n/a
5 2JDU Kd = 0.19 uM MFU C7 H14 O5 C[C@H]1[C@....
6 2JDM Kd = 3.96 uM MFU C7 H14 O5 C[C@H]1[C@....
7 6Q77 - DLE DLY DAL DLE DLY DLY DLE DAL ZDC n/a n/a
8 2JDH Kd = 310 nM NAG TA5 FUC n/a n/a
9 5A3O Kd = 18.5 uM MMA DH6 n/a n/a
10 1OXC - FUC C6 H12 O5 C[C@H]1[C@....
11 3ZDV Kd = 3.3 uM MMA F1A n/a n/a
12 2JDP Kd = 0.25 uM MFU C7 H14 O5 C[C@H]1[C@....
13 1W8H Ka = 47000000000 M^-1 NDG GAL FUC n/a n/a
14 1UZV Kd = 0.6667 uM FUC C6 H12 O5 C[C@H]1[C@....
15 2BP6 - GXL C6 H12 O6 C([C@H]1[C....
16 6R35 - NAG FUC GAL n/a n/a
17 2JDY Kd = 42.9 uM MMA C7 H14 O6 CO[C@@H]1[....
18 3DCQ ic50 = 5.94 uM 2G0 C25 H45 N5 O8 C[C@H]1[C@....
19 1W8F Ka = 15600000000 M^-1 BGC FUC GAL NAG n/a n/a
20 1OUR - MAN C6 H12 O6 C([C@@H]1[....
21 2JDK Kd = 0.000000064 M NAG T45 FUC n/a n/a
22 2VUC - FUC C6 H12 O5 C[C@H]1[C@....
23 6S5P - LYS ALA ALA LYS ALA CYS NH2 ZDC n/a n/a
24 2BOJ Kd = 1.7 uM ARW C6 H12 O5 CO[C@H]1[C....
25 1OVP - BDF C6 H12 O6 C1[C@H]([C....
26 1GZT ic50 = 0.25 mM FUC C6 H12 O5 C[C@H]1[C@....
27 2JDN Kd = 2.78 uM MMA C7 H14 O6 CO[C@@H]1[....
28 2BV4 ic50 = 600 uM MMA C7 H14 O6 CO[C@@H]1[....
29 2BOI ic50 = 48 uM MFU C7 H14 O5 C[C@H]1[C@....
30 1UQX - MMA C7 H14 O6 CO[C@@H]1[....
50% Homology Family (33)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 322 families.
1 5MAY Kd = 0.29 uM FUL PK6 n/a n/a
2 5MB1 Kd = 0.000000064 M FUL 7KT n/a n/a
3 4UT5 - GAL NAG GAL FUC n/a n/a
4 1OVS - MAN MAN n/a n/a
5 2JDU Kd = 0.19 uM MFU C7 H14 O5 C[C@H]1[C@....
6 2JDM Kd = 3.96 uM MFU C7 H14 O5 C[C@H]1[C@....
7 6Q77 - DLE DLY DAL DLE DLY DLY DLE DAL ZDC n/a n/a
8 2JDH Kd = 310 nM NAG TA5 FUC n/a n/a
9 5A3O Kd = 18.5 uM MMA DH6 n/a n/a
10 1OXC - FUC C6 H12 O5 C[C@H]1[C@....
11 3ZDV Kd = 3.3 uM MMA F1A n/a n/a
12 2JDP Kd = 0.25 uM MFU C7 H14 O5 C[C@H]1[C@....
13 1W8H Ka = 47000000000 M^-1 NDG GAL FUC n/a n/a
14 1UZV Kd = 0.6667 uM FUC C6 H12 O5 C[C@H]1[C@....
15 2BP6 - GXL C6 H12 O6 C([C@H]1[C....
16 6R35 - NAG FUC GAL n/a n/a
17 2JDY Kd = 42.9 uM MMA C7 H14 O6 CO[C@@H]1[....
18 3DCQ ic50 = 5.94 uM 2G0 C25 H45 N5 O8 C[C@H]1[C@....
19 1W8F Ka = 15600000000 M^-1 BGC FUC GAL NAG n/a n/a
20 1OUR - MAN C6 H12 O6 C([C@@H]1[....
21 2JDK Kd = 0.000000064 M NAG T45 FUC n/a n/a
22 2VUC - FUC C6 H12 O5 C[C@H]1[C@....
23 6S5P - LYS ALA ALA LYS ALA CYS NH2 ZDC n/a n/a
24 2BOJ Kd = 1.7 uM ARW C6 H12 O5 CO[C@H]1[C....
25 1OVP - BDF C6 H12 O6 C1[C@H]([C....
26 1GZT ic50 = 0.25 mM FUC C6 H12 O5 C[C@H]1[C@....
27 2JDN Kd = 2.78 uM MMA C7 H14 O6 CO[C@@H]1[....
28 2BV4 ic50 = 600 uM MMA C7 H14 O6 CO[C@@H]1[....
29 2BOI ic50 = 48 uM MFU C7 H14 O5 C[C@H]1[C@....
30 1UQX - MMA C7 H14 O6 CO[C@@H]1[....
31 2WR9 Kd = 2.6 uM MAN MAN n/a n/a
32 2VNV Kd = 2.75 uM MMA C7 H14 O6 CO[C@@H]1[....
33 2WRA Kd = 26.9 uM MAN MAN MAN n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: BGC FUC GAL NAG; Similar ligands found: 126
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC FUC GAL NAG 1 1
2 BGC FUC GAL NAG GAL 0.811765 1
3 BGC FUC GAL FUC A2G 0.77381 0.978723
4 GLC GAL NAG GAL FUC A2G 0.680412 0.938776
5 BGC GAL GLA NGA 0.662791 0.978261
6 BGC GAL NAG 0.662651 0.978261
7 GAL FUC A2G 0.650602 1
8 BGC FUC GAL 0.649351 0.73913
9 GLC BGC FUC GAL 0.649351 0.73913
10 NAG GAL FUC FUC A2G 0.634409 0.938776
11 BGC GAL FUC A2G 0.630435 1
12 NAG GAL NAG 0.623529 0.958333
13 GAL NAG FUC GAL 0.617977 1
14 NAG FUC GAL FUC A2G 0.617021 0.938776
15 GLC GAL NAG GAL FUC GLA 0.612245 1
16 BGC GAL NAG GAL FUC 0.610526 1
17 GAL NGA A2G 0.60241 0.958333
18 BGC GAL NAG GAL FUC FUC 0.602041 0.978723
19 GAL NAG GAL NAG GAL 0.58427 0.958333
20 GLA NAG GAL FUC 0.582418 1
21 BMA MAN NAG 0.574713 0.978261
22 GAL NAG GAL FUC FUC 0.574468 0.978723
23 MBG NAG 0.567901 0.978723
24 BGC GAL NAG GAL 0.555556 0.978261
25 HSH A2G FUC 0.552083 0.836364
26 NAG FUC GAL 0.551724 1
27 BGC GAL GLA NGA GAL 0.548387 0.978261
28 NDG NAG GLA NAG GLC RAM 0.54717 0.938776
29 NDG GLA NAG GLC RAM 0.54717 0.938776
30 NAG NAG BMA MAN NAG 0.540816 0.938776
31 BGC GAL NGA 0.54023 0.978261
32 NAG GAL NAG GAL NAG GAL 0.532609 0.938776
33 NAG GAL NAG GAL 0.532609 0.958333
34 NDG GLA GLC NAG GLC RAM 0.53211 0.938776
35 GAL NAG GAL 0.52809 0.978261
36 MAG SGA FUC 0.515464 0.730159
37 MMA MAN NAG 0.511111 0.978723
38 NAG GAL FUC FUC 0.51087 0.978723
39 NAG GAL FUC GLA 0.510417 1
40 MAN NAG 0.506024 0.978261
41 NDG FUC GAL FUC 0.494624 0.978723
42 NAG GAL GAL 0.494382 0.978261
43 A2G NAG 0.494118 0.958333
44 GDL NAG 0.494118 0.958333
45 MBG A2G 0.488372 0.978723
46 GAL NGA 0.482759 0.916667
47 GAL FUC GAL 0.482353 0.73913
48 NAG FUC 0.482353 0.978261
49 C4W NAG FUC BMA MAN 0.481818 0.884615
50 GLA NAG FUC GAL 0.48 0.978723
51 NAG GAL FUC A2G 0.478261 1
52 NAG NAG BMA MAN 0.475248 0.884615
53 MAN MAN MAN NAG NAG 0.474747 0.958333
54 NAG GAL FUC 0.473118 1
55 BGC GAL FUC GLA 0.473118 0.73913
56 BMA MAN MAN NAG GAL NAG 0.472222 0.958333
57 NDG NAG NAG NAG NAG 0.47191 0.938776
58 NAG NAG NAG NAG NAG 0.47191 0.938776
59 NAG NAG NAG NAG NAG NAG NAG NAG 0.47191 0.938776
60 NAG NAG NAG NAG NAG NAG 0.47191 0.938776
61 MAG FUC SGA 0.47 0.692308
62 GAL NAG GAL FUC 0.47 0.958333
63 BGC GAL NGA GAL 0.468085 0.978261
64 BGC GAL NAG NAG GAL GAL 0.466667 0.958333
65 MAG GAL FUC FUC 0.463158 0.958333
66 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.462264 0.92
67 NDG BMA MAN MAN NAG GAL NAG 0.460177 0.938776
68 AMU NAG 0.458333 0.92
69 3QL 0.456522 0.884615
70 NDG BMA MAN MAN NAG MAN MAN 0.45614 0.958333
71 NAG NAG BMA MAN MAN NAG GAL NAG 0.45614 0.938776
72 GAL NAG FUC GAL SIA 0.455285 0.884615
73 MAN MAN NAG 0.452632 0.9375
74 C4W NAG FUC BMA MAN MAN NAG 0.451613 0.884615
75 BGC BGC BGC 0.451219 0.717391
76 BGC BGC BGC BGC BGC 0.451219 0.717391
77 BGC BGC BGC BGC BGC BGC 0.451219 0.717391
78 BGC BGC BGC BGC BGC BGC BGC 0.451219 0.717391
79 GLC BGC BGC BGC 0.451219 0.717391
80 NDG NAG 0.449438 0.938776
81 MAG FUC GAL FUC 0.447917 0.958333
82 C4W NAG FUC BMA MAN MAN NAG NAG 0.447154 0.884615
83 NAG BDP NAG BDP NAG BDP NAG 0.446602 0.92
84 AH0 NAG 0.443299 0.851852
85 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.440945 0.793103
86 NAG NAG NAG NAG NAG NAG NAG 0.4375 0.867925
87 NAG NAG NAG 0.4375 0.867925
88 NAG NAG NAG NAG 0.4375 0.867925
89 MAN NAG GAL 0.43617 0.978261
90 Z4S NAG NAG 0.434343 0.867925
91 GLC GAL BGC FUC 0.433333 0.73913
92 BGC GAL FUC 0.433333 0.73913
93 GAL 2NA NAG 0.432432 0.865385
94 NAG GAL GLC NAG GLC RAM 0.431373 0.958333
95 NAG NAG FUL BMA MAN MAN NAG GAL 0.430894 0.867925
96 BGC GAL GLA 0.430233 0.717391
97 NAG NGO 0.427083 0.867925
98 BGC BGC BGC BGC BGC BGC BGC BGC 0.426966 0.717391
99 NAG NAG MAN MAN MAN 0.425926 0.958333
100 1GN ACY GAL 1GN BGC ACY GAL BGC 0.424528 0.958333
101 NAG NAG BMA MAN MAN NAG NAG 0.423729 0.867925
102 NM9 NAG 0.42268 0.901961
103 BMA Z4Y NAG 0.421569 0.957447
104 GAL SIA NGA 0.421053 0.884615
105 NAG FUC GAL SIA 0.418033 0.884615
106 YZ0 MAN MAN NAG MAN 0.416667 0.978723
107 NAG BMA MAN MAN NAG GAL NAG GAL 0.415929 0.938776
108 A2G GAL NAG 0.414141 0.958333
109 C4W NAG FUC BMA 0.412844 0.884615
110 MMA MAN NAG MAN NAG NAG 0.409524 0.92
111 MGC GAL 0.409091 0.978723
112 NAG GAL 0.409091 0.978261
113 A2G GAL 0.409091 0.978261
114 LEC NGA 0.407767 0.71875
115 2F8 0.407407 0.914894
116 MAG 0.407407 0.914894
117 GAL NAG 0.406593 0.978261
118 NAG NOJ NAG NAG 0.405941 0.821429
119 NAG NOJ NAG 0.405941 0.836364
120 MAN MAN M6P 0.404255 0.6
121 NGT NAG 0.40404 0.793103
122 MAG FUC G4S 0.403846 0.692308
123 BGC GAL NAG GAL SIA 0.403101 0.867925
124 C4W NAG FUC BMA MAN NAG 0.401639 0.884615
125 Z3Q NGA 0.4 0.779661
126 NAG NAG BMA 0.4 0.884615
Ligand no: 2; Ligand: BGC FUC GAL; Similar ligands found: 125
No: Ligand ECFP6 Tc MDL keys Tc
1 GLC BGC FUC GAL 1 1
2 BGC FUC GAL 1 1
3 GAL FUC GAL 0.666667 1
4 BGC FUC GAL NAG GAL 0.6625 0.73913
5 NAG FUC GAL 0.652174 0.73913
6 BGC FUC GAL NAG 0.649351 0.73913
7 BGC GAL FUC GLA 0.633803 1
8 GAL NAG FUC GAL 0.618421 0.73913
9 BGC FUC GAL FUC A2G 0.6 0.723404
10 BGC GAL FUC 0.588235 1
11 GLC GAL BGC FUC 0.588235 1
12 NAG GAL FUC GLA 0.55 0.73913
13 NAG GAL FUC FUC 0.532468 0.723404
14 GLA NAG FUC GAL 0.53012 0.723404
15 HSH GLA FUC 0.526316 0.790698
16 GAL GLA 0.52459 0.970588
17 GLC GLC GLC GLC BGC GLC GLC 0.515625 0.970588
18 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.515625 0.970588
19 MAN BMA BMA BMA BMA BMA BMA 0.515625 0.970588
20 NDG FUC GAL FUC 0.512821 0.723404
21 GAL NAG GAL FUC FUC 0.511905 0.723404
22 GLC GAL NAG GAL FUC GLA 0.505495 0.73913
23 NDG GAL FUC FUC 0.5 0.693878
24 NAG GAL FUC A2G 0.493506 0.73913
25 FUC GAL 0.492308 0.970588
26 GAL FUC A2G 0.487179 0.73913
27 GLC BGC BGC BGC 0.484848 0.970588
28 BGC BGC BGC 0.484848 0.970588
29 BGC BGC BGC BGC BGC BGC BGC 0.484848 0.970588
30 BGC BGC BGC BGC BGC 0.484848 0.970588
31 BGC BGC BGC BGC BGC BGC 0.484848 0.970588
32 GAL FUC 0.484848 0.942857
33 BGC GAL FUC A2G 0.482759 0.73913
34 GLA NAG GAL FUC 0.481928 0.73913
35 NAG FUC 0.478873 0.717391
36 BGC GAL NAG GAL FUC FUC 0.478261 0.723404
37 MAG GAL FUC FUC 0.475 0.708333
38 XYS GAL FUC 0.473684 0.971429
39 NAG GAL FUC FUC A2G 0.47191 0.693878
40 NAG GAL 0.471429 0.755556
41 NAG GAL FUC 0.468354 0.73913
42 BGC GAL NAG GAL FUC 0.466667 0.73913
43 NDG GAL 0.464789 0.607143
44 GCU BGC 0.463768 0.888889
45 BGC GAL NGA GAL 0.4625 0.755556
46 MGL GAL 0.461538 0.971429
47 BMA MAN MAN MAN 0.461538 0.944444
48 BGC GLA GAL 0.460317 0.970588
49 BGC GAL GLA 0.457143 0.970588
50 GAL FUC NGA 0.45679 0.708333
51 MAG FUC GAL FUC 0.45679 0.708333
52 GAL NAG GAL 0.455696 0.755556
53 NAG FUC GAL FUC A2G 0.455556 0.693878
54 BHE 0.454545 0.790698
55 RR7 GLC 0.454545 0.916667
56 MAN GLA ABE 0.454545 0.944444
57 GAL SO4 GAL 0.452055 0.647059
58 BGC BGC BGC BGC BGC BGC BGC BGC 0.452055 0.970588
59 MAN BMA BMA 0.450704 0.916667
60 A2G GAL 0.450704 0.755556
61 BQZ 0.45 0.882353
62 GLC BGC G6D ACI 0.448276 0.755556
63 4YA 0.447368 0.790698
64 BGC GLC AGL GLC GLC GLC 0.447059 0.73913
65 GLC GLC GLC G6D ACI GLC GLC 0.444444 0.755556
66 BMA MAN MAN 0.444444 0.970588
67 MAN IPD MAN 0.441176 0.767442
68 MBG GLA 0.4375 0.971429
69 IPD MAN 0.434783 0.72093
70 GLC GAL NAG GAL FUC A2G 0.434343 0.693878
71 BGC GAL NAG GAL 0.433735 0.755556
72 NAG BMA 0.432432 0.673469
73 MGC GAL 0.430556 0.723404
74 TVD GAL 0.430556 0.693878
75 G2F SHG BGC BGC 0.430556 0.868421
76 BGC GAL GLA NGA GAL 0.430233 0.755556
77 GAL NAG GAL NAG GAL 0.428571 0.708333
78 ARE 0.425532 0.755556
79 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.425532 0.68
80 AAO 0.425532 0.755556
81 MAN MAN MAN 0.425 0.942857
82 GLC GLC AC1 0.424658 0.767442
83 MAN MAN 0.424242 0.914286
84 BMA BMA BMA BMA GLA 0.423077 0.970588
85 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.423077 0.970588
86 BGC XGP 0.422535 0.767442
87 ACG 0.421053 0.717391
88 GLC GLC AGL HMC 0.419355 0.73913
89 RAM MAN GLA TYV RAM GLC MAN GLA TYV 0.418367 0.894737
90 RZM 0.41791 0.673913
91 MBG GAL 0.41791 0.971429
92 NAG GAL GAL 0.417722 0.755556
93 MMA GLA ABE 0.417722 0.894737
94 NDG GLA GLC NAG GLC RAM 0.417476 0.693878
95 GPM GLC 0.416667 0.75
96 NDG NAG GLA NAG GLC RAM 0.415842 0.693878
97 NDG GLA NAG GLC RAM 0.415842 0.693878
98 GAL NAG GAL FUC 0.41573 0.708333
99 BGC OXZ 0.414286 0.653061
100 GLC EDO GLC 0.414286 0.916667
101 G2F BGC BGC BGC BGC BGC 0.413333 0.846154
102 BGC GLC GLC 0.413333 0.970588
103 GLC GLC G6D ACI 0.413043 0.723404
104 BGC GAL NGA 0.4125 0.755556
105 7D1 MAN 0.411765 0.864865
106 BGC 5VQ GAL GLA 0.410959 0.918919
107 BGC GLC GLD GLC ACI GLD GLC ACI G6D 0.410526 0.673469
108 GLC GLC G6D GLC ACI GLC 0.410526 0.723404
109 GLC GLC AC1 GLC GLC GLC 0.410526 0.723404
110 GLC GLC AGL HMC GLC 0.410526 0.723404
111 BGC GLC GLC GLC 0.410256 0.970588
112 XYS GLC GLC 0.410256 0.942857
113 GLC GLC GLC GLC GLC 0.410256 0.970588
114 AHR FUB 0.409836 0.833333
115 MAN NAG GAL 0.407407 0.755556
116 AOG FUC 0.407407 0.653846
117 NAG GAL BGC GAL 0.404762 0.755556
118 ABL 0.402778 0.6875
119 BGC OXZ BGC 0.402597 0.673469
120 BGC BGC XYS GAL 0.402439 0.916667
121 C4W NAG FUC BMA 0.4 0.653846
122 5QP 0.4 0.861111
123 BGC BGC BGC BGC 0.4 0.970588
124 BGC BGC BGC XYS BGC XYS 0.4 0.916667
125 AIG FUC 0.4 0.653846
Ligand no: 3; Ligand: BGC FUC GAL NAG GAL; Similar ligands found: 127
No: Ligand ECFP6 Tc MDL keys Tc
1 BGC FUC GAL NAG GAL 1 1
2 BGC FUC GAL NAG 0.811765 1
3 GAL NAG GAL NAG GAL 0.75 0.958333
4 GAL NAG GAL 0.690476 0.978261
5 NAG GAL NAG GAL 0.689655 0.958333
6 NAG GAL NAG GAL NAG GAL 0.689655 0.938776
7 GLC BGC FUC GAL 0.6625 0.73913
8 BGC FUC GAL 0.6625 0.73913
9 GAL NAG FUC GAL 0.648352 1
10 BGC GAL NAG GAL FUC FUC 0.646465 0.978723
11 GLC GAL NAG GAL FUC GLA 0.64 1
12 BGC FUC GAL FUC A2G 0.631579 0.978723
13 BGC GAL NAG GAL FUC 0.622449 1
14 NAG NAG BMA MAN 0.614583 0.884615
15 C4W NAG FUC BMA MAN 0.609524 0.884615
16 GLC GAL NAG GAL FUC A2G 0.609524 0.938776
17 BGC GAL GLA NGA 0.602151 0.978261
18 BGC GAL NAG NAG GAL GAL 0.6 0.958333
19 BGC GAL GLA NGA GAL 0.595745 0.978261
20 BGC GAL NAG GAL 0.586957 0.978261
21 MAN NAG GAL 0.58427 0.978261
22 BGC GAL NAG 0.582418 0.978261
23 NAG GAL GAL 0.579545 0.978261
24 NAG GAL FUC GLA 0.572917 1
25 GAL NAG GAL FUC FUC 0.571429 0.978723
26 NAG FUC GAL 0.566667 1
27 NAG GAL NAG 0.565217 0.958333
28 NAG NAG BMA MAN NAG 0.554455 0.938776
29 NAG NAG MAN MAN MAN 0.553398 0.958333
30 GLA NAG GAL FUC 0.546392 1
31 BGC GAL FUC A2G 0.544554 1
32 NAG NAG FUL BMA MAN MAN NAG GAL 0.542373 0.867925
33 C4W NAG FUC BMA 0.538462 0.884615
34 NAG BMA MAN MAN NAG GAL NAG GAL 0.537037 0.938776
35 NAG NAG BMA 0.536842 0.884615
36 BMA MAN MAN NAG GAL NAG 0.527778 0.958333
37 GAL FUC A2G 0.521277 1
38 NAG GAL FUC FUC A2G 0.519231 0.938776
39 BGC GAL NGA GAL 0.515789 0.978261
40 NDG BMA MAN MAN NAG GAL NAG 0.513274 0.938776
41 GLA NAG FUC GAL 0.509804 0.978723
42 NAG NAG BMA MAN MAN NAG GAL NAG 0.508772 0.938776
43 BMA MAN NAG 0.505263 0.978261
44 BGC GAL FUC GLA 0.505263 0.73913
45 NAG FUC GAL FUC A2G 0.504762 0.938776
46 C4W NAG FUC BMA MAN MAN NAG 0.5 0.884615
47 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.5 0.958333
48 BGC GAL NAG GAL SIA 0.496 0.867925
49 NAG GAL FUC FUC 0.494845 0.978723
50 NAG GAL FUC A2G 0.494737 1
51 BGC BGC BGC BGC BGC BGC BGC BGC 0.494382 0.717391
52 NAG GAL 0.494253 0.978261
53 NAG NAG BMA MAN MAN MAN MAN 0.491525 0.884615
54 BGC GAL NGA 0.489362 0.978261
55 C4W NAG FUC BMA MAN MAN NAG GAL NAG 0.488189 0.793103
56 MAG SGA FUC 0.485437 0.730159
57 GAL FUC GAL 0.483146 0.73913
58 BGC GAL GLA 0.482759 0.717391
59 NAG NAG BMA BMA 0.480392 0.851852
60 NDG FUC GAL FUC 0.479592 0.978723
61 GAL NGA A2G 0.478723 0.958333
62 NDG GLA GLC NAG GLC RAM 0.478632 0.938776
63 NDG NAG GLA NAG GLC RAM 0.478261 0.938776
64 NDG GLA NAG GLC RAM 0.478261 0.938776
65 NAG GAL NAG GAL SIA 0.47619 0.867925
66 NDG NAG NAG NAG NAG 0.473118 0.938776
67 NAG NAG NAG NAG NAG NAG NAG NAG 0.473118 0.938776
68 NAG NAG NAG NAG NAG NAG 0.473118 0.938776
69 NAG NAG NAG NAG NAG 0.473118 0.938776
70 BGC BGC BGC BGC BGC 0.470588 0.717391
71 GLC BGC BGC BGC 0.470588 0.717391
72 BGC BGC BGC 0.470588 0.717391
73 BGC BGC BGC BGC BGC BGC 0.470588 0.717391
74 BGC BGC BGC BGC BGC BGC BGC 0.470588 0.717391
75 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.463636 0.92
76 C4W NAG FUC BMA MAN NAG GAL 0.46281 0.793103
77 TVD GAL 0.460674 0.938776
78 C4W NAG FUC BMA MAN MAN NAG NAG 0.460317 0.884615
79 NAG GAL FUC 0.459184 1
80 NDG BMA MAN MAN NAG MAN MAN 0.457627 0.958333
81 NAG BMA MAN MAN MAN MAN 0.453704 0.978261
82 GLC GAL BGC FUC 0.451613 0.73913
83 BGC GAL FUC 0.451613 0.73913
84 NAG FUC 0.450549 0.978261
85 NAG NAG NAG TMX 0.45 0.793103
86 MAG GAL FUC FUC 0.45 0.958333
87 HSH A2G FUC 0.448598 0.836364
88 MBG NAG 0.445652 0.978723
89 GAL NAG FUC GAL SIA 0.445312 0.884615
90 MAG FUC SGA 0.443396 0.692308
91 GAL NAG GAL FUC 0.443396 0.958333
92 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.442478 0.978261
93 NAG NAG NAG NAG NAG NAG NAG 0.44 0.867925
94 NAG NAG NAG NAG 0.44 0.867925
95 NAG NAG NAG 0.44 0.867925
96 C4W NAG FUC BMA MAN NAG 0.439024 0.884615
97 NAG BMA MAN MAN MAN MAN MAN MAN MAN MAN 0.438596 0.978261
98 NAG NAG BMA MAN MAN NAG NAG 0.438017 0.867925
99 Z4S NAG NAG 0.436893 0.867925
100 NAG GAL BGC GAL 0.435644 0.978261
101 MAG FUC GAL FUC 0.435644 0.958333
102 GDL NAG 0.430108 0.958333
103 MGC GAL 0.428571 0.978723
104 A2G GAL 0.428571 0.978261
105 1GN ACY GAL 1GN BGC ACY GAL BGC 0.427273 0.958333
106 BGC GAL SIA NGA GAL FUC 0.42029 0.884615
107 MMA MAN NAG 0.42 0.978723
108 HSH GLA FUC 0.415842 0.648148
109 NAG BMA 0.414894 0.88
110 BGC GAL GLA NGA GAL SIA 0.412214 0.884615
111 GAL GLA 0.411765 0.717391
112 MAN MAN MAN GLC 0.410526 0.717391
113 MBG A2G 0.410526 0.978723
114 NAG NOJ NAG NAG 0.409524 0.821429
115 NAG NOJ NAG 0.409524 0.836364
116 NAG FUC GAL SIA 0.409449 0.884615
117 GLC GLC GLC GLC BGC GLC GLC 0.409091 0.717391
118 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.409091 0.717391
119 MAN BMA BMA BMA BMA BMA BMA 0.409091 0.717391
120 RAM MAN GLA ABE RAM MAN GLA 0.408333 0.714286
121 MAN MAN M6P 0.408163 0.6
122 MAN MAN MAN NAG NAG 0.407407 0.958333
123 RAM MAN GLA TYV RAM GLC MAN GLA TYV 0.40678 0.714286
124 NAG TA5 FUC 0.40566 0.681818
125 RAM MAN GLA ABE RAM MAN GLA ABE 0.405172 0.714286
126 BGC BGC BGC BGC 0.40404 0.717391
127 SIA GAL NGA GAL 0.4 0.884615
Similar Ligands (3D)
Ligand no: 1; Ligand: BGC FUC GAL NAG; Similar ligands found: 0
No: Ligand Similarity coefficient
Ligand no: 2; Ligand: BGC FUC GAL; Similar ligands found: 3
No: Ligand Similarity coefficient
1 NDG GAL FUC 0.9214
2 MAG FUC GAL 0.9113
3 NDG FUC GAL 0.9021
Ligand no: 3; Ligand: BGC FUC GAL NAG GAL; Similar ligands found: 0
No: Ligand Similarity coefficient
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
Feedback