Receptor
PDB id Resolution Class Description Source Keywords
1W8F 1.05 Å NON-ENZYME: BINDING PSEUDOMONAS AERUGINOSA LECTIN II (PA-IIL) COMPLEXED WITH LACTO-N-NEO-FUCOPENTAOSE V(LNPFV) PSEUDOMONAS AERUGINOSA SUGAR BINDING PROTEIN PENTASSACHARIDE CYSTIC FIROSIS INFECTION OF LUNGS
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...
FUC BGC GAL C:1118;
Valid;
none;
Ka = 15600000000 M^-1
488.439 n/a O(C1O...
FUC BGC GAL NAG A:1118;
Valid;
none;
Ka = 15600000000 M^-1
691.633 n/a O=C(N...
FUC BGC GAL NAG GAL B:1118;
D:1118;
Valid;
Valid;
none;
none;
Ka = 15600000000 M^-1
853.774 n/a O=C(N...
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...
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) COMPLEXED WITH 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 (22)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 2JDH Kd = 310 nM FUC NAG TA5 n/a n/a
2 5A3O Kd = 18 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 FUC NDG GAL 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 2JDY Kd = 42.9 uM MMA C7 H14 O6 CO[C@@H]1[....
10 3DCQ ic50 = 5.94 uM 2G0 C25 H45 N5 O8 C[C@H]1[C@....
11 1W8F Ka = 15600000000 M^-1 FUC BGC GAL n/a n/a
12 1OUR - MAN C6 H12 O6 C([C@@H]1[....
13 2JDK Kd = 290 nM FUC NAG T45 n/a n/a
14 2VUC - FUC C6 H12 O5 C[C@H]1[C@....
15 2BOJ Kd = 1.7 uM ARW C6 H12 O5 CO[C@H]1[C....
16 1OVP - BDF C6 H12 O6 C1[C@H]([C....
17 1GZT ic50 = 0.25 mM FUC C6 H12 O5 C[C@H]1[C@....
18 4UT5 - GAL NAG GAL FUC n/a n/a
19 2JDN Kd = 2.78 uM MMA C7 H14 O6 CO[C@@H]1[....
20 1OVS - MAN MAN n/a n/a
21 2JDU Kd = 0.19 uM MFU C7 H14 O5 C[C@H]1[C@....
22 2JDM Kd = 3.96 uM MFU C7 H14 O5 C[C@H]1[C@....
70% Homology Family (25)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 2JDH Kd = 310 nM FUC NAG TA5 n/a n/a
2 5A3O Kd = 18 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 FUC NDG GAL 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 2JDY Kd = 42.9 uM MMA C7 H14 O6 CO[C@@H]1[....
10 3DCQ ic50 = 5.94 uM 2G0 C25 H45 N5 O8 C[C@H]1[C@....
11 1W8F Ka = 15600000000 M^-1 FUC BGC GAL n/a n/a
12 1OUR - MAN C6 H12 O6 C([C@@H]1[....
13 2JDK Kd = 290 nM FUC NAG T45 n/a n/a
14 2VUC - FUC C6 H12 O5 C[C@H]1[C@....
15 2BOJ Kd = 1.7 uM ARW C6 H12 O5 CO[C@H]1[C....
16 1OVP - BDF C6 H12 O6 C1[C@H]([C....
17 1GZT ic50 = 0.25 mM FUC C6 H12 O5 C[C@H]1[C@....
18 4UT5 - GAL NAG GAL FUC n/a n/a
19 2JDN Kd = 2.78 uM MMA C7 H14 O6 CO[C@@H]1[....
20 1OVS - MAN MAN n/a n/a
21 2JDU Kd = 0.19 uM MFU C7 H14 O5 C[C@H]1[C@....
22 2JDM Kd = 3.96 uM MFU C7 H14 O5 C[C@H]1[C@....
23 2BV4 ic50 = 600 uM MMA C7 H14 O6 CO[C@@H]1[....
24 2BOI ic50 = 48 uM MFU C7 H14 O5 C[C@H]1[C@....
25 1UQX - MMA C7 H14 O6 CO[C@@H]1[....
50% Homology Family (28)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 2JDH Kd = 310 nM FUC NAG TA5 n/a n/a
2 5A3O Kd = 18 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 FUC NDG GAL 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 2JDY Kd = 42.9 uM MMA C7 H14 O6 CO[C@@H]1[....
10 3DCQ ic50 = 5.94 uM 2G0 C25 H45 N5 O8 C[C@H]1[C@....
11 1W8F Ka = 15600000000 M^-1 FUC BGC GAL n/a n/a
12 1OUR - MAN C6 H12 O6 C([C@@H]1[....
13 2JDK Kd = 290 nM FUC NAG T45 n/a n/a
14 2VUC - FUC C6 H12 O5 C[C@H]1[C@....
15 2BOJ Kd = 1.7 uM ARW C6 H12 O5 CO[C@H]1[C....
16 1OVP - BDF C6 H12 O6 C1[C@H]([C....
17 1GZT ic50 = 0.25 mM FUC C6 H12 O5 C[C@H]1[C@....
18 4UT5 - GAL NAG GAL FUC n/a n/a
19 2JDN Kd = 2.78 uM MMA C7 H14 O6 CO[C@@H]1[....
20 1OVS - MAN MAN n/a n/a
21 2JDU Kd = 0.19 uM MFU C7 H14 O5 C[C@H]1[C@....
22 2JDM Kd = 3.96 uM MFU C7 H14 O5 C[C@H]1[C@....
23 2BV4 ic50 = 600 uM MMA C7 H14 O6 CO[C@@H]1[....
24 2BOI ic50 = 48 uM MFU C7 H14 O5 C[C@H]1[C@....
25 1UQX - MMA C7 H14 O6 CO[C@@H]1[....
26 2WR9 Kd = 2.6 uM MAN MAN n/a n/a
27 2VNV Kd = 2.75 uM MMA C7 H14 O6 CO[C@@H]1[....
28 2WRA Kd = 26.9 uM MAN MAN MAN n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: FUC BGC GAL; Similar ligands found: 239
No: Ligand ECFP6 Tc MDL keys Tc
1 FUC BGC GAL 1 1
2 GAL GAL FUC 0.666667 1
3 GLA GAL FUC 0.666667 1
4 GLA GLA FUC 0.666667 1
5 FUC GAL GLA 0.666667 1
6 FUC GLA GLA 0.666667 1
7 FUC BGC GAL NAG GAL 0.6625 0.73913
8 GAL NDG FUC 0.652174 0.73913
9 GAL NAG FUC 0.652174 0.73913
10 FUC NDG GAL 0.652174 0.73913
11 FUC NAG GAL 0.652174 0.73913
12 FUC BGC GAL NAG 0.649351 0.73913
13 BGC GLA GAL FUC 0.633803 1
14 GLA NAG GAL FUC 0.618421 0.73913
15 GAL NAG GAL FUC 0.618421 0.73913
16 GLC FUC GAL FUC A2G 0.6 0.723404
17 BGC FUC GAL FUC A2G 0.6 0.723404
18 LAT FUC 0.588235 1
19 BGC GAL FUC 0.588235 1
20 GLC GAL FUC 0.588235 1
21 FUC GAL GLC 0.588235 1
22 FUC LAT 0.588235 1
23 MAG FUC GAL 0.583333 0.708333
24 FUC GAL 0.539683 0.970588
25 BGB 0.532468 0.790698
26 FUC NDG GAL FUC 0.532468 0.723404
27 FUC GAL NAG FUC 0.532468 0.723404
28 FUC NAG GAL FUC 0.532468 0.723404
29 BCW 0.532468 0.723404
30 FUC NAG GLA GAL 0.53012 0.723404
31 BMA GAL 0.52459 0.970588
32 MAL MAL 0.52459 0.942857
33 BGC BMA 0.52459 0.970588
34 LAT 0.52459 0.970588
35 GAL BGC 0.52459 0.970588
36 M3M 0.52459 0.970588
37 CBK 0.52459 0.970588
38 GAL GLC 0.52459 0.970588
39 LB2 0.52459 0.970588
40 LBT 0.52459 0.970588
41 CBI 0.52459 0.970588
42 BGC GLC 0.52459 0.970588
43 GLA GAL 0.52459 0.970588
44 GLC GAL 0.52459 0.970588
45 N9S 0.52459 0.970588
46 GLA GLA 0.52459 0.970588
47 BGC GAL 0.52459 0.970588
48 B2G 0.52459 0.970588
49 MAN GLC 0.52459 0.970588
50 GLC BGC 0.52459 0.970588
51 MAB 0.52459 0.970588
52 MAL 0.52459 0.970588
53 BMA BMA 0.52459 0.970588
54 CTR 0.515625 0.970588
55 MAN BMA BMA BMA BMA 0.515625 0.970588
56 BGC BGC BGC BGC BGC BGC 0.515625 0.970588
57 DXI 0.515625 0.970588
58 MT7 0.515625 0.970588
59 GLC BGC BGC BGC BGC BGC 0.515625 0.970588
60 CE6 0.515625 0.970588
61 GLC GAL GAL 0.515625 0.970588
62 MAN MAN BMA BMA BMA BMA 0.515625 0.970588
63 GLA GAL GLC 0.515625 0.970588
64 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.515625 0.970588
65 BMA BMA BMA 0.515625 0.970588
66 GLC BGC BGC BGC BGC 0.515625 0.970588
67 GLC GLC GLC GLC GLC GLC GLC GLC 0.515625 0.970588
68 GLC BGC BGC 0.515625 0.970588
69 CEY 0.515625 0.970588
70 BGC GLC GLC 0.515625 0.970588
71 BMA BMA BMA BMA BMA BMA 0.515625 0.970588
72 MLR 0.515625 0.970588
73 MTT 0.515625 0.970588
74 BMA MAN BMA 0.515625 0.970588
75 BGC GLC GLC GLC GLC GLC GLC 0.515625 0.970588
76 GLC GLC GLC GLC GLC 0.515625 0.970588
77 CTT 0.515625 0.970588
78 GAL GAL GAL 0.515625 0.970588
79 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.515625 0.970588
80 BGC GLC GLC GLC GLC 0.515625 0.970588
81 GLC BGC GLC 0.515625 0.970588
82 BGC GLC GLC GLC 0.515625 0.970588
83 GLC GLC BGC GLC GLC GLC GLC 0.515625 0.970588
84 CT3 0.515625 0.970588
85 B4G 0.515625 0.970588
86 GLC GLC GLC GLC GLC GLC GLC 0.515625 0.970588
87 BMA BMA BMA BMA BMA 0.515625 0.970588
88 CEX 0.515625 0.970588
89 BGC BGC BGC GLC 0.515625 0.970588
90 MAN BMA BMA 0.515625 0.970588
91 CE8 0.515625 0.970588
92 CE5 0.515625 0.970588
93 GLC GLC BGC 0.515625 0.970588
94 GAL NAG FUC FUC 0.512821 0.723404
95 BDZ 0.512821 0.723404
96 GAL NDG FUC FUC 0.512821 0.723404
97 FUC GAL NDG FUC 0.512821 0.723404
98 FUC GAL NAG GAL FUC 0.511905 0.723404
99 GLA GAL NAG FUC GAL GLC 0.505495 0.73913
100 NAG FUC 0.5 0.695652
101 DR2 0.493506 0.73913
102 FUL GAL NAG 0.493506 0.73913
103 FUC GAL NDG 0.493506 0.73913
104 FUC GAL NAG 0.493506 0.73913
105 NDG GAL FUC 0.493506 0.73913
106 GAL FUC 0.492308 0.970588
107 A2G GAL FUC 0.487179 0.73913
108 FUC GAL A2G 0.487179 0.73913
109 NGA GAL FUC 0.487179 0.73913
110 FUC GL0 A2G 0.487179 0.73913
111 A2G GLA FUC 0.487179 0.73913
112 FUC GLA A2G 0.487179 0.73913
113 MAN BMA BMA BMA BMA BMA 0.485294 0.942857
114 BGC BGC GLC 0.485294 0.970588
115 BMA BMA BMA BMA BMA BMA MAN 0.485294 0.942857
116 BGC BGC BGC BGC BGC 0.484848 0.970588
117 BGC BGC BGC 0.484848 0.970588
118 BGC BGC BGC GLC BGC BGC 0.484848 0.970588
119 GLC BGC BGC BGC 0.484848 0.970588
120 BGC BGC BGC ASO BGC BGC ASO 0.484848 0.970588
121 GLC BGC BGC BGC BGC BGC BGC 0.484848 0.970588
122 A2G GAL BGC FUC 0.482759 0.73913
123 FUC NAG 0.478873 0.717391
124 BMA MAN MAN 0.478261 0.970588
125 GLC GAL NAG GAL FUC FUC 0.478261 0.723404
126 BGC GAL NAG GAL FUC FUC 0.478261 0.723404
127 FUC GAL MAG FUC 0.475 0.708333
128 XYS GAL FUC 0.473684 0.971429
129 NAG GAL FUC FUC A2G 0.47191 0.693878
130 NLC 0.471429 0.755556
131 GAL NDG 0.471429 0.755556
132 NDG GAL 0.471429 0.755556
133 ABD 0.46988 0.772727
134 DR3 0.468354 0.73913
135 NAG GAL FUC 0.468354 0.73913
136 FUC GAL NAG GAL BGC 0.466667 0.73913
137 CGC 0.463768 0.914286
138 GLA EGA 0.462687 0.971429
139 MMA MAN 0.461538 0.971429
140 DR5 0.461538 0.971429
141 MAN MAN 0.460317 0.970588
142 BGC BGC 0.460317 0.970588
143 LAT GLA 0.460317 0.970588
144 2M4 0.460317 0.970588
145 GAL GAL SO4 0.458333 0.6875
146 GLA GAL BGC 0.457143 0.970588
147 GLA GAL GAL 0.457143 0.970588
148 FUC GAL NGA 0.45679 0.755556
149 FUC GAL NAG A2G FUC 0.455556 0.693878
150 GLA MAN ABE 0.454545 0.944444
151 BHE 0.454545 0.790698
152 DOM 0.454545 0.916667
153 BMA MAN 0.454545 0.888889
154 BGC BGC BGC BGC BGC BGC BGC BGC 0.452055 0.970588
155 BGC BGC BGC BGC 0.452055 0.970588
156 GAL A2G 0.450704 0.755556
157 GAL NGA 0.450704 0.755556
158 A2G GAL 0.450704 0.755556
159 GLC ACI GLD GLC 0.448276 0.809524
160 GLC G6D ACI GLC 0.448276 0.809524
161 GLC G6D ADH GLC 0.448276 0.809524
162 GLC ACI G6D BGC 0.448276 0.809524
163 BMA BMA MAN 0.447761 0.942857
164 U63 0.447761 0.868421
165 BHG FUC 0.447368 0.790698
166 4YA 0.447368 0.790698
167 FUC BHG 0.447368 0.790698
168 TRE 0.446429 0.970588
169 GLC GLC G6D ACI GLC GLC GLC 0.444444 0.809524
170 GLC GLC GLC GLC GLC GLC 0.44 0.970588
171 GLA MBG 0.4375 0.971429
172 MAN MAN BMA 0.434783 0.970588
173 GLC GAL NAG GAL FUC A2G 0.434343 0.693878
174 A2G GAL NAG FUC GAL GLC 0.434343 0.693878
175 LAT NAG GAL 0.433735 0.755556
176 GAL NAG GAL BGC 0.433735 0.755556
177 BGC GAL NAG GAL 0.433735 0.755556
178 A2G GAL NAG FUC 0.433333 0.693878
179 NAG BMA 0.432432 0.673469
180 8VZ 0.430556 0.693878
181 GAL MGC 0.430556 0.723404
182 GAL NGA GLA BGC GAL 0.430233 0.755556
183 NAG GAL GAL NAG GAL 0.428571 0.708333
184 FUC GAL NAG A2G 0.428571 0.62963
185 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.425532 0.68
186 AAO 0.425532 0.755556
187 ARE 0.425532 0.755556
188 BMA BMA GLA BMA BMA 0.423077 0.970588
189 MVP 0.422535 0.717391
190 GLC GLC XYP 0.421053 0.970588
191 ACG 0.421053 0.717391
192 GLC AGL GLC HMC 0.419355 0.73913
193 GLA MAN RAM TYV GLA MAN GLC RAM TYV 0.418367 0.894737
194 GAL MBG 0.41791 0.971429
195 M13 0.41791 0.971429
196 RZM 0.41791 0.673913
197 MDM 0.41791 0.971429
198 GLA MMA ABE 0.417722 0.894737
199 GLA GAL NAG 0.417722 0.755556
200 NAG GAL GAL 0.417722 0.755556
201 MAN BMA NAG 0.417722 0.755556
202 MAN MNM 0.414286 0.733333
203 MAL EDO 0.414286 0.916667
204 BGC OXZ 0.414286 0.653061
205 GLC GLC GLC GLC 0.413333 0.970588
206 G2F BGC BGC BGC BGC BGC 0.413333 0.846154
207 GLC ACI GLD GAL 0.413043 0.755556
208 GLC ACI G6D GLC 0.413043 0.755556
209 NGA GAL BGC 0.4125 0.755556
210 MAN 7D1 0.411765 0.864865
211 GLA GAL BGC 5VQ 0.410959 0.918919
212 GLC GLC ACI G6D GLC GLC 0.410526 0.755556
213 GLC GLC DAF BGC 0.410526 0.755556
214 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.410526 0.702128
215 GLC GLC AGL HMC GLC 0.410526 0.755556
216 ACR GLC GLC GLC 0.410526 0.755556
217 GAL NGA A2G 0.410256 0.693878
218 GLC GLC GLC BGC 0.410256 0.970588
219 M5S 0.410256 0.970588
220 GLC GLC XYS 0.410256 0.942857
221 MAN BMA MAN MAN MAN 0.410256 0.970588
222 FMO 0.408451 0.846154
223 MAN NAG GAL 0.407407 0.755556
224 GAL NAG MAN 0.407407 0.755556
225 AOG FUC 0.407407 0.66
226 GLC GAL NAG GAL 0.406977 0.755556
227 BGC BGC BGC XYS GAL 0.406977 0.916667
228 GLC GLC GLC G6D ADH GLC 0.40625 0.708333
229 GAL BGC NAG GAL 0.404762 0.755556
230 ABL 0.402778 0.6875
231 OXZ BGC BGC 0.402597 0.673469
232 GAL NOK 0.402597 0.611111
233 P3M 0.402597 0.75
234 NOK GAL 0.402597 0.611111
235 GAL BGC BGC XYS 0.402439 0.916667
236 NOY BGC 0.4 0.733333
237 AIG FUC 0.4 0.66
238 5QP 0.4 0.861111
239 GLC GLC BGC XYS BGC XYS 0.4 0.916667
Ligand no: 2; Ligand: FUC BGC GAL NAG; Similar ligands found: 181
No: Ligand ECFP6 Tc MDL keys Tc
1 FUC BGC GAL NAG 1 1
2 FUC BGC GAL NAG GAL 0.811765 1
3 BGC FUC GAL FUC A2G 0.77381 0.978723
4 GLC FUC GAL FUC A2G 0.77381 0.978723
5 GLC GAL NAG GAL FUC A2G 0.680412 0.938776
6 A2G GAL NAG FUC GAL GLC 0.680412 0.938776
7 NGA GLA GAL BGC 0.662791 0.978261
8 NAG GAL BGC 0.662651 0.978261
9 A2G GLA FUC 0.650602 1
10 NGA GAL FUC 0.650602 1
11 FUC GAL A2G 0.650602 1
12 A2G GAL FUC 0.650602 1
13 FUC GL0 A2G 0.650602 1
14 FUC GLA A2G 0.650602 1
15 FUC BGC GAL 0.649351 0.73913
16 NAG GAL FUC FUC A2G 0.634409 0.938776
17 A2G GAL BGC FUC 0.630435 1
18 NAG GAL NAG 0.623529 0.958333
19 GAL NAG GAL FUC 0.617977 1
20 GLA NAG GAL FUC 0.617977 1
21 FUC GAL NAG A2G FUC 0.617021 0.938776
22 GAL NAG 0.615385 0.978261
23 NAG GAL 0.615385 0.978261
24 NGA GAL 0.615385 0.978261
25 GLA GAL NAG FUC GAL GLC 0.612245 1
26 FUC GAL NAG GAL BGC 0.610526 1
27 GLC GAL NAG GAL FUC FUC 0.602041 0.978723
28 BGC GAL NAG GAL FUC FUC 0.602041 0.978723
29 A2G GAL NAG FUC 0.595745 0.938776
30 NAG GAL GAL NAG GAL 0.58427 0.958333
31 FUC GAL NAG GAL FUC 0.574468 0.978723
32 NAG MBG 0.567901 0.978723
33 GLC GAL NAG GAL 0.56044 0.978261
34 BGA 0.556701 0.836364
35 BGC GAL NAG GAL 0.555556 0.978261
36 LAT NAG GAL 0.555556 0.978261
37 GAL NAG GAL BGC 0.555556 0.978261
38 FUC NAG GAL 0.551724 1
39 FUC NDG GAL 0.551724 1
40 GAL NDG FUC 0.551724 1
41 GAL NAG FUC 0.551724 1
42 GAL NGA GLA BGC GAL 0.548387 0.978261
43 NGA GAL BGC 0.54023 0.978261
44 GAL NAG GAL NAG GAL NAG 0.532609 0.938776
45 NAG GAL GAL NAG 0.532609 0.958333
46 NAG MAN MMA 0.511111 0.978723
47 FUC GAL NAG FUC 0.51087 0.978723
48 BCW 0.51087 0.978723
49 FUC NDG GAL FUC 0.51087 0.978723
50 FUC NAG GAL FUC 0.51087 0.978723
51 MAN NAG 0.506024 0.978261
52 SGA MAG FUC 0.505155 0.725806
53 MAG FUC GAL 0.5 0.958333
54 GAL NDG FUC FUC 0.494624 0.978723
55 BDZ 0.494624 0.978723
56 FUC GAL NDG FUC 0.494624 0.978723
57 GAL NAG FUC FUC 0.494624 0.978723
58 MAN BMA NAG 0.494382 0.978261
59 NAG GAL GAL 0.494382 0.978261
60 GLA GAL NAG 0.494382 0.978261
61 NAG GDL 0.494118 0.958333
62 CBS 0.494118 0.958333
63 NAG NDG 0.494118 0.958333
64 NAG A2G 0.494118 0.958333
65 CBS CBS 0.494118 0.958333
66 NAG NGA 0.494118 0.958333
67 A2G MBG 0.488372 0.978723
68 MBG A2G 0.488372 0.978723
69 FUC GAL GLA 0.482353 0.73913
70 GAL GAL FUC 0.482353 0.73913
71 NAG FUC 0.482353 0.956522
72 FUC NAG 0.482353 0.978261
73 GLA GLA FUC 0.482353 0.73913
74 FUC GLA GLA 0.482353 0.73913
75 GLA GAL FUC 0.482353 0.73913
76 FUC NAG GLA GAL 0.48 0.978723
77 DR2 0.478261 1
78 NDG GAL FUC 0.478261 1
79 FUC GAL NAG 0.478261 1
80 FUL GAL NAG 0.478261 1
81 FUC GAL NDG 0.478261 1
82 NAG NAG BMA MAN 0.475248 0.884615
83 NAG MAN MAN MAN NAG 0.474747 0.958333
84 DR3 0.473118 1
85 BGC GLA GAL FUC 0.473118 0.73913
86 NAG GAL FUC 0.473118 1
87 NAG NAG NAG NDG 0.47191 0.938776
88 NAG NAG NDG 0.47191 0.938776
89 NAG NAG NAG NAG NDG 0.47191 0.938776
90 NAG NAG NAG NAG NAG NAG 0.47191 0.938776
91 CTO 0.47191 0.938776
92 NAG NAG NAG 0.47191 0.938776
93 NDG NAG NAG NAG 0.47191 0.938776
94 NAG NAG NAG NAG NAG 0.47191 0.938776
95 NDG NAG NAG 0.47191 0.938776
96 NAG NAG NAG NAG 0.47191 0.938776
97 NDG NAG NAG NDG NAG 0.47191 0.938776
98 NDG NAG NAG NDG 0.47191 0.938776
99 NAG NAG NAG NAG NAG NAG NAG NAG 0.47191 0.938776
100 NAG NAG NAG NAG NDG NAG 0.47191 0.938776
101 FUC GAL MAG FUC 0.463158 0.958333
102 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.462264 0.92
103 NAG MAN BMA NDG MAN NAG GAL 0.460177 0.938776
104 NAG AMU 0.458333 0.92
105 NAG MUB 0.458333 0.92
106 3QL 0.456522 0.884615
107 M5G 0.45614 0.958333
108 NAG NAG 0.455556 0.865385
109 MAN MAN NAG 0.452632 0.9375
110 NAG NGO 0.451613 0.884615
111 BGC BGC BGC 0.451219 0.717391
112 GLC BGC BGC BGC BGC BGC BGC 0.451219 0.717391
113 GLC BGC BGC BGC 0.451219 0.717391
114 BGC BGC BGC BGC BGC 0.451219 0.717391
115 BGC BGC BGC GLC BGC BGC 0.451219 0.717391
116 BGC BGC BGC ASO BGC BGC ASO 0.451219 0.717391
117 NAG BMA NAG MAN MAN NAG NAG 0.45045 0.938776
118 NDG NAG 0.449438 0.938776
119 NAG MAN BMA 0.447917 0.978261
120 NAG MAN MAN 0.447917 0.978261
121 NAG GCU NAG GCU NAG GCU 5AX 0.446602 0.92
122 NAG BDP NAG BDP NAG BDP NAG 0.446602 0.92
123 AH0 NAG 0.443299 0.851852
124 GAL NAG MAN 0.43617 0.978261
125 MAN NAG GAL 0.43617 0.978261
126 LAT FUC 0.433333 0.73913
127 BGC GAL FUC 0.433333 0.73913
128 GLC GAL FUC 0.433333 0.73913
129 FUC LAT 0.433333 0.73913
130 FUC GAL GLC 0.433333 0.73913
131 NAG GAL 2NA 0.432432 0.865385
132 GLA GAL GAL 0.430233 0.717391
133 GLA GAL BGC 0.430233 0.717391
134 BGC BGC BGC BGC 0.426966 0.717391
135 BGC BGC BGC BGC BGC BGC BGC BGC 0.426966 0.717391
136 NAG MAN GAL MAN MAN NAG GAL 0.425926 0.958333
137 NAG NAG BMA MAN MAN 0.425926 0.958333
138 MAN MAN NAG MAN NAG 0.425926 0.958333
139 FUC GAL NAG A2G 0.424528 0.851852
140 1GN ACY GAL ACY 1GN BGC GAL BGC 0.424528 0.958333
141 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.424528 0.958333
142 NAG NAG BMA MAN MAN NAG NAG 0.423729 0.867925
143 NAG NM9 0.42268 0.901961
144 FUC GAL 0.421687 0.717391
145 G4S MAG FUC 0.421569 0.725806
146 SIA GAL NGA 0.421053 0.884615
147 NOJ NAG NAG 0.42 0.851852
148 NOJ NAG NAG NAG 0.42 0.836364
149 GAL NAG GAL 0.418367 0.9375
150 NDG FUC SIA GAL 0.418033 0.884615
151 SIA GLA NAG FUC 0.418033 0.884615
152 SIA GAL NDG FUC 0.418033 0.884615
153 NAG FUC SIA GAL 0.418033 0.884615
154 SIA GAL NAG FUC 0.418033 0.884615
155 FUC NDG GAL SIA 0.418033 0.884615
156 NAG NAG NAG NAG NAG NAG NAG 0.417476 0.851852
157 RAM GLC GAL NAG NAG GLC 0.417323 0.884615
158 WZ5 0.416667 0.978723
159 NAG MAN MAN MAN NAG GAL NAG GAL 0.415929 0.938776
160 NAG MAN GAL BMA NDG MAN NAG GAL 0.415929 0.938776
161 MAN BMA NAG NAG MAN NAG GAL GAL 0.415929 0.938776
162 NAG MAN GAL BMA NAG MAN NAG GAL 0.415929 0.938776
163 MMA MAN NAG MAN NAG NAG 0.409524 0.92
164 GAL NGA 0.409091 0.978261
165 NLC 0.409091 0.978261
166 NDG GAL 0.409091 0.978261
167 A2G GAL 0.409091 0.978261
168 GAL MGC 0.409091 0.978723
169 GAL NDG 0.409091 0.978261
170 GAL A2G 0.409091 0.978261
171 GAL NGA A2G 0.408602 0.938776
172 LEC NGA 0.407767 0.71875
173 MAG 0.407407 0.914894
174 2F8 0.407407 0.914894
175 NGT NAG 0.40404 0.793103
176 BGB 0.40404 0.648148
177 SIA GAL NAG GAL BGC 0.403101 0.867925
178 SIA GAL NAG GAL GLC 0.403101 0.867925
179 BGC GAL NAG SIA GAL 0.403101 0.867925
180 NAG NDG BMA 0.4 0.884615
181 NAG NAG BMA 0.4 0.884615
Ligand no: 3; Ligand: FUC BGC GAL NAG GAL; Similar ligands found: 222
No: Ligand ECFP6 Tc MDL keys Tc
1 FUC BGC GAL NAG GAL 1 1
2 FUC BGC GAL NAG 0.811765 1
3 NAG GAL GAL NAG GAL 0.75 0.958333
4 GLC GAL NAG GAL 0.72093 0.978261
5 NAG GAL GAL NAG 0.689655 0.958333
6 GAL NAG GAL NAG GAL NAG 0.689655 0.938776
7 FUC BGC GAL 0.6625 0.73913
8 GAL NAG GAL FUC 0.648352 1
9 GLA NAG GAL FUC 0.648352 1
10 GLC GAL NAG GAL FUC FUC 0.646465 0.978723
11 BGC GAL NAG GAL FUC FUC 0.646465 0.978723
12 GLA GAL NAG FUC GAL GLC 0.64 1
13 BGC FUC GAL FUC A2G 0.631579 0.978723
14 GLC FUC GAL FUC A2G 0.631579 0.978723
15 FUC GAL NAG GAL BGC 0.622449 1
16 NAG NAG BMA MAN 0.614583 0.884615
17 A2G GAL NAG FUC GAL GLC 0.609524 0.938776
18 GLC GAL NAG GAL FUC A2G 0.609524 0.938776
19 NGA GLA GAL BGC 0.602151 0.978261
20 GAL NGA GLA BGC GAL 0.595745 0.978261
21 BGC GAL NAG GAL 0.586957 0.978261
22 LAT NAG GAL 0.586957 0.978261
23 GAL NAG GAL BGC 0.586957 0.978261
24 GAL NAG MAN 0.58427 0.978261
25 MAN NAG GAL 0.58427 0.978261
26 NAG GAL BGC 0.582418 0.978261
27 NAG GAL GAL 0.579545 0.978261
28 GLA GAL NAG 0.579545 0.978261
29 MAN BMA NAG 0.579545 0.978261
30 FUC GAL NAG GAL FUC 0.571429 0.978723
31 GAL NDG FUC 0.566667 1
32 GAL NAG FUC 0.566667 1
33 FUC NAG GAL 0.566667 1
34 FUC NDG GAL 0.566667 1
35 NAG GAL NAG 0.565217 0.958333
36 GAL NAG GAL 0.55914 0.9375
37 NAG MAN GAL MAN MAN NAG GAL 0.553398 0.958333
38 NAG NAG BMA MAN MAN 0.553398 0.958333
39 MAN MAN NAG MAN NAG 0.553398 0.958333
40 A2G GAL BGC FUC 0.544554 1
41 NAG MAN GAL BMA NAG MAN NAG GAL 0.537037 0.938776
42 NAG MAN MAN MAN NAG GAL NAG GAL 0.537037 0.938776
43 MAN BMA NAG NAG MAN NAG GAL GAL 0.537037 0.938776
44 NAG MAN GAL BMA NDG MAN NAG GAL 0.537037 0.938776
45 NAG NAG BMA 0.536842 0.884615
46 NAG NDG BMA 0.536842 0.884615
47 A2G GAL NAG FUC 0.529412 0.938776
48 FUC GAL A2G 0.521277 1
49 FUC GLA A2G 0.521277 1
50 NGA GAL FUC 0.521277 1
51 A2G GAL FUC 0.521277 1
52 FUC GL0 A2G 0.521277 1
53 A2G GLA FUC 0.521277 1
54 NAG GAL FUC FUC A2G 0.519231 0.938776
55 NAG FUC 0.517241 0.956522
56 MAG FUC GAL 0.516129 0.958333
57 NAG MAN BMA NDG MAN NAG GAL 0.513274 0.938776
58 FUC NAG GLA GAL 0.509804 0.978723
59 BGC GLA GAL FUC 0.505263 0.73913
60 FUC GAL NAG A2G FUC 0.504762 0.938776
61 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.5 0.958333
62 BGC GAL NAG SIA GAL 0.496 0.867925
63 SIA GAL NAG GAL GLC 0.496 0.867925
64 SIA GAL NAG GAL BGC 0.496 0.867925
65 FUC NDG GAL FUC 0.494845 0.978723
66 FUC NAG GAL FUC 0.494845 0.978723
67 FUC GAL NAG FUC 0.494845 0.978723
68 BCW 0.494845 0.978723
69 NDG GAL FUC 0.494737 1
70 DR2 0.494737 1
71 FUC GAL NDG 0.494737 1
72 FUL GAL NAG 0.494737 1
73 FUC GAL NAG 0.494737 1
74 BGC BGC BGC BGC BGC BGC BGC BGC 0.494382 0.717391
75 BGC BGC BGC BGC 0.494382 0.717391
76 NLC 0.494253 0.978261
77 NDG GAL 0.494253 0.978261
78 GAL NDG 0.494253 0.978261
79 NAG NAG BMA MAN MAN MAN MAN 0.491525 0.884615
80 NGA GAL BGC 0.489362 0.978261
81 GAL GAL FUC 0.483146 0.73913
82 NGA GAL 0.483146 0.978261
83 GLA GAL FUC 0.483146 0.73913
84 FUC GAL GLA 0.483146 0.73913
85 GAL NAG 0.483146 0.978261
86 FUC GLA GLA 0.483146 0.73913
87 GLA GLA FUC 0.483146 0.73913
88 NAG GAL 0.483146 0.978261
89 GLA GAL GAL 0.482759 0.717391
90 GLA GAL BGC 0.482759 0.717391
91 NAG NAG BMA BMA 0.480392 0.851852
92 GAL NAG FUC FUC 0.479592 0.978723
93 FUC GAL NDG FUC 0.479592 0.978723
94 GAL NDG FUC FUC 0.479592 0.978723
95 BDZ 0.479592 0.978723
96 SGA MAG FUC 0.475728 0.725806
97 NAG NAG NAG 0.473118 0.938776
98 NDG NAG NAG NAG 0.473118 0.938776
99 NAG NAG NDG 0.473118 0.938776
100 NAG NAG NAG NDG 0.473118 0.938776
101 NAG NAG NAG NAG NDG 0.473118 0.938776
102 NAG NAG NAG NAG NAG 0.473118 0.938776
103 NAG NAG NAG NAG NAG NAG NAG NAG 0.473118 0.938776
104 NDG NAG NAG NDG 0.473118 0.938776
105 NAG NAG NAG NAG NDG NAG 0.473118 0.938776
106 NAG NAG NAG NAG NAG NAG 0.473118 0.938776
107 NDG NAG NAG 0.473118 0.938776
108 NDG NAG NAG NDG NAG 0.473118 0.938776
109 CTO 0.473118 0.938776
110 NAG NAG NAG NAG 0.473118 0.938776
111 GLC BGC BGC BGC 0.470588 0.717391
112 BGC BGC BGC GLC BGC BGC 0.470588 0.717391
113 BGC BGC BGC BGC BGC 0.470588 0.717391
114 BGC BGC BGC 0.470588 0.717391
115 GLC BGC BGC BGC BGC BGC BGC 0.470588 0.717391
116 BGC BGC BGC ASO BGC BGC ASO 0.470588 0.717391
117 NAG BMA MAN MAN MAN MAN 0.466667 0.978261
118 NAG BMA NAG MAN MAN NAG NAG 0.464912 0.938776
119 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.463636 0.92
120 8VZ 0.460674 0.938776
121 DR3 0.459184 1
122 NAG GAL FUC 0.459184 1
123 M5G 0.457627 0.958333
124 GAL NAG SIA GAL 0.455285 0.867925
125 SIA GAL NAG GAL 0.455285 0.867925
126 BGA 0.453704 0.836364
127 BGC GAL FUC 0.451613 0.73913
128 LAT FUC 0.451613 0.73913
129 FUC GAL GLC 0.451613 0.73913
130 FUC LAT 0.451613 0.73913
131 GLC GAL FUC 0.451613 0.73913
132 FUC NAG 0.450549 0.978261
133 TCG 0.45 0.793103
134 FUC GAL MAG FUC 0.45 0.958333
135 CTO TMX 0.45 0.793103
136 NAG MBG 0.445652 0.978723
137 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.442478 0.978261
138 FUC GAL NAG A2G 0.440367 0.851852
139 BGC BGC GLC 0.438202 0.717391
140 NAG NAG BMA MAN MAN NAG NAG 0.438017 0.867925
141 GAL BGC NAG GAL 0.435644 0.978261
142 CBS CBS 0.430108 0.958333
143 CBS 0.430108 0.958333
144 NAG GDL 0.430108 0.958333
145 NAG NDG 0.430108 0.958333
146 GAL A2G 0.428571 0.978261
147 GAL NGA 0.428571 0.978261
148 GAL MGC 0.428571 0.978723
149 A2G GAL 0.428571 0.978261
150 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.427273 0.958333
151 1GN ACY GAL ACY 1GN BGC GAL BGC 0.427273 0.958333
152 NOJ NAG NAG 0.423077 0.851852
153 NOJ NAG NAG NAG 0.423077 0.836364
154 BGB 0.421569 0.648148
155 NAG NAG NAG NAG NAG NAG NAG 0.420561 0.851852
156 NAG MAN MMA 0.42 0.978723
157 NAG NAG BMA MAN NAG 0.415254 0.867925
158 NAG BMA 0.414894 0.88
159 M3M 0.411765 0.717391
160 LB2 0.411765 0.717391
161 MAN GLC 0.411765 0.717391
162 G4S MAG FUC 0.411215 0.725806
163 MAN MAN MAN GLC 0.410526 0.717391
164 MBG A2G 0.410526 0.978723
165 A2G MBG 0.410526 0.978723
166 FUC NDG GAL SIA 0.409449 0.884615
167 SIA GLA NAG FUC 0.409449 0.884615
168 SIA GAL NDG FUC 0.409449 0.884615
169 NDG FUC SIA GAL 0.409449 0.884615
170 NAG FUC SIA GAL 0.409449 0.884615
171 SIA GAL NAG FUC 0.409449 0.884615
172 BMA BMA BMA 0.409091 0.717391
173 CE5 0.409091 0.717391
174 GLC BGC GLC 0.409091 0.717391
175 CT3 0.409091 0.717391
176 MAN BMA BMA 0.409091 0.717391
177 BGC GLC GLC 0.409091 0.717391
178 DXI 0.409091 0.717391
179 BGC GLC GLC GLC GLC 0.409091 0.717391
180 BGC BGC BGC GLC 0.409091 0.717391
181 MAN BMA BMA BMA BMA 0.409091 0.717391
182 GLC GLC BGC GLC GLC GLC GLC 0.409091 0.717391
183 GLC GLC GLC GLC GLC GLC GLC 0.409091 0.717391
184 MAN MAN BMA BMA BMA BMA 0.409091 0.717391
185 GLC GAL GAL 0.409091 0.717391
186 CE8 0.409091 0.717391
187 CE6 0.409091 0.717391
188 BGC GLC GLC GLC 0.409091 0.717391
189 GLC BGC BGC BGC BGC BGC 0.409091 0.717391
190 GLA GAL GLC 0.409091 0.717391
191 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.409091 0.717391
192 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.409091 0.717391
193 GAL GAL GAL 0.409091 0.717391
194 BMA BMA BMA BMA BMA 0.409091 0.717391
195 BGC GLC GLC GLC GLC GLC GLC 0.409091 0.717391
196 BMA MAN BMA 0.409091 0.717391
197 CEX 0.409091 0.717391
198 MTT 0.409091 0.717391
199 CEY 0.409091 0.717391
200 GLC BGC BGC BGC BGC 0.409091 0.717391
201 GLC BGC BGC 0.409091 0.717391
202 MT7 0.409091 0.717391
203 B4G 0.409091 0.717391
204 GLC GLC GLC GLC GLC GLC GLC GLC 0.409091 0.717391
205 BMA BMA BMA BMA BMA BMA 0.409091 0.717391
206 GLC GLC BGC 0.409091 0.717391
207 BGC BGC BGC BGC BGC BGC 0.409091 0.717391
208 GLC GLC GLC GLC GLC 0.409091 0.717391
209 CTR 0.409091 0.717391
210 MLR 0.409091 0.717391
211 CTT 0.409091 0.717391
212 GLA MAN RAM RAM ABE MAN GLA 0.408333 0.714286
213 NAG MAN MAN MAN NAG 0.407407 0.958333
214 GLA MAN RAM TYV GLA MAN GLC RAM TYV 0.40678 0.714286
215 G6S NAG 0.405941 0.75
216 FUC NAG TA5 0.40566 0.681818
217 ABD 0.40566 0.956522
218 GLA MAN RAM ABE GLA MAN RAM ABE 0.405172 0.714286
219 GLA MAN RAM TYV GLA MAN RAM TYV 0.405172 0.714286
220 BMA MAN MAN 0.402174 0.717391
221 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.4 0.9
222 GAL SIA NGA GAL 0.4 0.884615
Similar Binding Sites (Proteins are less than 50% similar to leader)
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