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(C1C...
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 (18)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 510 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 2JDN Kd = 2.78 uM MMA C7 H14 O6 CO[C@@H]1[....
70% Homology Family (27)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 391 families.
1 5MAY Kd = 0.29 uM FUL PK6 n/a n/a
2 5MB1 Kd = 0.33 uM 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 2JDH Kd = 310 nM FUC NAG TA5 n/a n/a
8 5A3O Kd = 18 uM MMA DH6 n/a n/a
9 1OXC - FUC C6 H12 O5 C[C@H]1[C@....
10 3ZDV Kd = 3.3 uM MMA F1A n/a n/a
11 2JDP Kd = 0.25 uM MFU C7 H14 O5 C[C@H]1[C@....
12 1W8H Ka = 47000000000 M^-1 FUC NDG GAL n/a n/a
13 1UZV Kd = 0.6667 uM FUC C6 H12 O5 C[C@H]1[C@....
14 2BP6 - GXL C6 H12 O6 C([C@H]1[C....
15 2JDY Kd = 42.9 uM MMA C7 H14 O6 CO[C@@H]1[....
16 3DCQ ic50 = 5.94 uM 2G0 C25 H45 N5 O8 C[C@H]1[C@....
17 1W8F Ka = 15600000000 M^-1 FUC BGC GAL n/a n/a
18 1OUR - MAN C6 H12 O6 C([C@@H]1[....
19 2JDK Kd = 290 nM FUC NAG T45 n/a n/a
20 2VUC - FUC C6 H12 O5 C[C@H]1[C@....
21 2BOJ Kd = 1.7 uM ARW C6 H12 O5 CO[C@H]1[C....
22 1OVP - BDF C6 H12 O6 C1[C@H]([C....
23 1GZT ic50 = 0.25 mM FUC C6 H12 O5 C[C@H]1[C@....
24 2JDN Kd = 2.78 uM MMA C7 H14 O6 CO[C@@H]1[....
25 2BV4 ic50 = 600 uM MMA C7 H14 O6 CO[C@@H]1[....
26 2BOI ic50 = 48 uM MFU C7 H14 O5 C[C@H]1[C@....
27 1UQX - MMA C7 H14 O6 CO[C@@H]1[....
50% Homology Family (30)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 298 families.
1 5MAY Kd = 0.29 uM FUL PK6 n/a n/a
2 5MB1 Kd = 0.33 uM 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 2JDH Kd = 310 nM FUC NAG TA5 n/a n/a
8 5A3O Kd = 18 uM MMA DH6 n/a n/a
9 1OXC - FUC C6 H12 O5 C[C@H]1[C@....
10 3ZDV Kd = 3.3 uM MMA F1A n/a n/a
11 2JDP Kd = 0.25 uM MFU C7 H14 O5 C[C@H]1[C@....
12 1W8H Ka = 47000000000 M^-1 FUC NDG GAL n/a n/a
13 1UZV Kd = 0.6667 uM FUC C6 H12 O5 C[C@H]1[C@....
14 2BP6 - GXL C6 H12 O6 C([C@H]1[C....
15 2JDY Kd = 42.9 uM MMA C7 H14 O6 CO[C@@H]1[....
16 3DCQ ic50 = 5.94 uM 2G0 C25 H45 N5 O8 C[C@H]1[C@....
17 1W8F Ka = 15600000000 M^-1 FUC BGC GAL n/a n/a
18 1OUR - MAN C6 H12 O6 C([C@@H]1[....
19 2JDK Kd = 290 nM FUC NAG T45 n/a n/a
20 2VUC - FUC C6 H12 O5 C[C@H]1[C@....
21 2BOJ Kd = 1.7 uM ARW C6 H12 O5 CO[C@H]1[C....
22 1OVP - BDF C6 H12 O6 C1[C@H]([C....
23 1GZT ic50 = 0.25 mM FUC C6 H12 O5 C[C@H]1[C@....
24 2JDN Kd = 2.78 uM MMA C7 H14 O6 CO[C@@H]1[....
25 2BV4 ic50 = 600 uM MMA C7 H14 O6 CO[C@@H]1[....
26 2BOI ic50 = 48 uM MFU C7 H14 O5 C[C@H]1[C@....
27 1UQX - MMA C7 H14 O6 CO[C@@H]1[....
28 2WR9 Kd = 2.6 uM MAN MAN n/a n/a
29 2VNV Kd = 2.75 uM MMA C7 H14 O6 CO[C@@H]1[....
30 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: 221
No: Ligand ECFP6 Tc MDL keys Tc
1 FUC BGC GAL 1 1
2 FUC GAL GLA 0.666667 1
3 FUC GLA GLA 0.666667 1
4 GLA GLA FUC 0.666667 1
5 GLA GAL FUC 0.666667 1
6 GAL GAL FUC 0.666667 1
7 FUC BGC GAL NAG GAL 0.6625 0.73913
8 FUC NDG GAL 0.652174 0.73913
9 GAL NDG FUC 0.652174 0.73913
10 FUC BGC GAL NAG 0.649351 0.73913
11 BGC GLA GAL FUC 0.633803 1
12 GAL NAG GAL FUC 0.618421 0.73913
13 GLA NAG GAL FUC 0.618421 0.73913
14 BGC FUC GAL FUC A2G 0.6 0.723404
15 GLC FUC GAL FUC A2G 0.6 0.723404
16 FUC NAG GAL 0.589041 0.68
17 GLC GAL FUC 0.588235 1
18 BGC GAL FUC 0.588235 1
19 LAT FUC 0.588235 1
20 FUC GAL GLC 0.588235 1
21 8B7 0.588235 1
22 MAG FUC GAL 0.583333 0.708333
23 FUC GAL 0.539683 0.970588
24 FUC NAG GAL FUC 0.532468 0.723404
25 BCW 0.532468 0.723404
26 BGB 0.532468 0.790698
27 FUC NAG GLA GAL 0.53012 0.723404
28 LBT 0.52459 0.970588
29 GLC GAL 0.52459 0.970588
30 BMA GAL 0.52459 0.970588
31 MAN GLC 0.52459 0.970588
32 NGR 0.52459 0.970588
33 CBK 0.52459 0.970588
34 GAL BGC 0.52459 0.970588
35 M3M 0.52459 0.970588
36 LAT 0.52459 0.970588
37 CBI 0.52459 0.970588
38 MAB 0.52459 0.970588
39 BGC GAL 0.52459 0.970588
40 MAL 0.52459 0.970588
41 GLA GAL 0.52459 0.970588
42 B2G 0.52459 0.970588
43 BGC BMA 0.52459 0.970588
44 N9S 0.52459 0.970588
45 LB2 0.52459 0.970588
46 GLA GLA 0.52459 0.970588
47 CT3 0.515625 0.970588
48 MT7 0.515625 0.970588
49 BMA MAN BMA 0.515625 0.970588
50 BGC BGC BGC BGC 0.515625 0.970588
51 CE6 0.515625 0.970588
52 CEY 0.515625 0.970588
53 B4G 0.515625 0.970588
54 GLC BGC BGC 0.515625 0.970588
55 GLC BGC GLC 0.515625 0.970588
56 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.515625 0.970588
57 GLA GAL BGC 0.515625 0.970588
58 GLA GAL GLC 0.515625 0.970588
59 BGC GLC GLC GLC 0.515625 0.970588
60 BGC BGC BGC BGC BGC 0.515625 0.970588
61 GAL GAL GAL 0.515625 0.970588
62 DXI 0.515625 0.970588
63 BGC GLC GLC GLC GLC 0.515625 0.970588
64 CE8 0.515625 0.970588
65 MAN BMA BMA BMA BMA 0.515625 0.970588
66 BMA BMA BMA BMA BMA 0.515625 0.970588
67 BGC BGC GLC 0.515625 0.970588
68 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.515625 0.970588
69 MLR 0.515625 0.970588
70 MAN BMA BMA 0.515625 0.970588
71 MAN BMA BMA BMA BMA BMA 0.515625 0.970588
72 GLC BGC BGC BGC BGC 0.515625 0.970588
73 MAN MAN BMA BMA BMA BMA 0.515625 0.970588
74 BGC GLC GLC 0.515625 0.970588
75 BGC BGC BGC BGC BGC BGC 0.515625 0.970588
76 BGC BGC BGC GLC 0.515625 0.970588
77 CE5 0.515625 0.970588
78 GLC BGC BGC BGC 0.515625 0.970588
79 BGC BGC BGC 0.515625 0.970588
80 GLC GAL GAL 0.515625 0.970588
81 BGC GLC GLC GLC GLC GLC GLC 0.515625 0.970588
82 GLC GLC GLC GLC GLC 0.515625 0.970588
83 CTR 0.515625 0.970588
84 BMA BMA BMA BMA BMA BMA 0.515625 0.970588
85 CEX 0.515625 0.970588
86 GLC BGC BGC BGC BGC BGC 0.515625 0.970588
87 GLC GLC BGC 0.515625 0.970588
88 MTT 0.515625 0.970588
89 CTT 0.515625 0.970588
90 BMA BMA BMA 0.515625 0.970588
91 GAL NDG FUC FUC 0.512821 0.723404
92 BDZ 0.512821 0.723404
93 FUC GAL NAG FUC 0.512821 0.723404
94 FUC GAL NDG FUC 0.512821 0.723404
95 GAL NAG FUC FUC 0.512821 0.723404
96 FUC NDG GAL FUC 0.512821 0.723404
97 FUC GAL NAG GAL FUC 0.511905 0.723404
98 GLA GAL NAG FUC GAL GLC 0.505495 0.73913
99 NAG FUC 0.5 0.695652
100 FUC GAL NDG 0.493506 0.73913
101 FUC GAL NAG 0.493506 0.73913
102 GAL NAG FUC 0.493506 0.73913
103 NAG GAL FUC 0.493506 0.73913
104 FUL GAL NAG 0.493506 0.73913
105 DR2 0.493506 0.73913
106 NDG GAL FUC 0.493506 0.73913
107 FUC NAG 0.493151 0.66
108 GAL FUC 0.492308 0.970588
109 A2G GAL FUC 0.487179 0.73913
110 FUC GAL A2G 0.487179 0.73913
111 NGA GAL FUC 0.487179 0.73913
112 A2G GLA FUC 0.487179 0.73913
113 FUC GLA A2G 0.487179 0.73913
114 BGC BGC BGC GLC BGC BGC 0.484848 0.970588
115 GLC BGC BGC BGC BGC BGC BGC 0.484848 0.970588
116 A2G GAL BGC FUC 0.482759 0.73913
117 GLC GAL NAG GAL FUC FUC 0.478261 0.723404
118 BGC GAL NAG GAL FUC FUC 0.478261 0.723404
119 XYS GAL FUC 0.473684 0.971429
120 NAG GAL FUC FUC A2G 0.47191 0.693878
121 GAL NDG 0.471429 0.755556
122 BMA MAN MAN MAN 0.471429 0.970588
123 NDG GAL 0.471429 0.755556
124 NLC 0.471429 0.755556
125 ABD 0.46988 0.772727
126 DR3 0.468354 0.73913
127 GLC NAG GAL GAL FUC 0.466667 0.73913
128 GAL GLC NAG GAL FUC 0.466667 0.73913
129 FUC GAL NAG GAL BGC 0.466667 0.73913
130 CGC 0.463768 0.914286
131 GLA EGA 0.462687 0.971429
132 MMA MAN 0.461538 0.971429
133 DR5 0.461538 0.971429
134 2M4 0.460317 0.970588
135 LAT GLA 0.460317 0.970588
136 GLA GAL GAL 0.457143 0.970588
137 FUC GAL NGA 0.45679 0.708333
138 FUC GAL NAG A2G FUC 0.455556 0.693878
139 GLA MAN ABE 0.454545 0.944444
140 BGC BGC 0.454545 0.888889
141 BHE 0.454545 0.790698
142 BMA BMA 0.454545 0.888889
143 DOM 0.454545 0.916667
144 GAL GAL SO4 0.452055 0.647059
145 BGC BGC BGC BGC BGC BGC BGC BGC 0.452055 0.970588
146 GAL NGA 0.450704 0.755556
147 GAL A2G 0.450704 0.755556
148 A2G GAL 0.450704 0.755556
149 BQZ 0.45 0.882353
150 GLC G6D ACI GLC 0.448276 0.755556
151 GLC G6D ADH GLC 0.448276 0.755556
152 GLC ACI GLD GLC 0.448276 0.755556
153 GLC ACI G6D BGC 0.448276 0.755556
154 U63 0.447761 0.868421
155 4YA 0.447368 0.790698
156 FUC BHG 0.447368 0.790698
157 BHG FUC 0.447368 0.790698
158 TRE 0.446429 0.970588
159 MAN BMA MAN 0.444444 0.970588
160 GLC GLC G6D ACI GLC GLC GLC 0.444444 0.755556
161 GLA MBG 0.4375 0.971429
162 MAN MAN BMA 0.434783 0.970588
163 BMA BMA MAN 0.434783 0.970588
164 A2G GAL NAG FUC GAL GLC 0.434343 0.693878
165 GLC GAL NAG GAL FUC A2G 0.434343 0.693878
166 BGC GAL NAG GAL 0.433735 0.755556
167 GAL NAG GAL GLC 0.433735 0.755556
168 FUC GAL NAG A2G 0.433333 0.693878
169 A2G GAL NAG FUC 0.433333 0.693878
170 NAG BMA 0.432432 0.673469
171 GAL MGC 0.430556 0.723404
172 8VZ 0.430556 0.693878
173 GAL NGA GLA BGC GAL 0.430233 0.755556
174 NAG GAL GAL NAG GAL 0.428571 0.708333
175 AAO 0.425532 0.755556
176 ARE 0.425532 0.755556
177 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.425532 0.68
178 BMA BMA GLA BMA BMA 0.423077 0.970588
179 MVP 0.422535 0.717391
180 GLC GLC XYP 0.421053 0.970588
181 ACG 0.421053 0.717391
182 MDM 0.41791 0.971429
183 RZM 0.41791 0.673913
184 GAL MBG 0.41791 0.971429
185 M13 0.41791 0.971429
186 GLA GAL NAG 0.417722 0.755556
187 MAN BMA NAG 0.417722 0.755556
188 GLA MMA ABE 0.417722 0.894737
189 BGC OXZ 0.414286 0.653061
190 MAL EDO 0.414286 0.916667
191 G2F BGC BGC BGC BGC BGC 0.413333 0.846154
192 GLC ACI G6D GLC 0.413043 0.723404
193 GLC ACI GLD GAL 0.413043 0.723404
194 NGA GAL BGC 0.4125 0.755556
195 BMA MAN MAN MAN MAN 0.4125 0.970588
196 MAN 7D1 0.411765 0.864865
197 GLA GAL BGC 5VQ 0.410959 0.918919
198 GLC GLC AGL HMC GLC 0.410526 0.723404
199 GLC GLC ACI G6D GLC GLC 0.410526 0.723404
200 GLC GLC DAF BGC 0.410526 0.723404
201 G6D GLC ACI GLD GLC ACI GLD GLC BGC 0.410526 0.673469
202 ACR GLC GLC GLC 0.410526 0.723404
203 MAN BMA MAN MAN MAN 0.410256 0.970588
204 M5S 0.410256 0.970588
205 GLC GLC XYS 0.410256 0.942857
206 GLC GLC GLC BGC 0.410256 0.970588
207 FMO 0.408451 0.846154
208 GAL NAG MAN 0.407407 0.755556
209 AOG FUC 0.407407 0.653846
210 BGC BGC BGC XYS GAL 0.406977 0.916667
211 GLC GAL NAG GAL 0.406977 0.755556
212 LAT NAG GAL 0.406977 0.755556
213 XYT 0.405405 0.75
214 GAL BGC NAG GAL 0.404762 0.755556
215 ABL 0.402778 0.6875
216 P3M 0.402597 0.75
217 OXZ BGC BGC 0.402597 0.673469
218 GAL BGC BGC XYS 0.402439 0.916667
219 AIG FUC 0.4 0.653846
220 FUC C4W NAG BMA 0.4 0.653846
221 5QP 0.4 0.861111
Ligand no: 2; Ligand: FUC BGC GAL NAG; Similar ligands found: 177
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 A2G GAL NAG FUC GAL GLC 0.680412 0.938776
6 GLC GAL NAG GAL FUC A2G 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 A2G GAL FUC 0.650602 1
11 FUC GAL A2G 0.650602 1
12 FUC GLA A2G 0.650602 1
13 NGA GAL FUC 0.650602 1
14 FUC BGC GAL 0.649351 0.73913
15 NAG GAL FUC FUC A2G 0.634409 0.938776
16 A2G GAL BGC FUC 0.630435 1
17 NAG GAL NAG 0.623529 0.958333
18 GAL NAG GAL FUC 0.617977 1
19 GLA NAG GAL FUC 0.617977 1
20 FUC GAL NAG A2G FUC 0.617021 0.938776
21 NAG GAL 0.615385 0.978261
22 GAL NAG 0.615385 0.978261
23 GLA GAL NAG FUC GAL GLC 0.612245 1
24 FUC GAL NAG GAL BGC 0.610526 1
25 GAL GLC NAG GAL FUC 0.610526 1
26 GLC NAG GAL GAL FUC 0.610526 1
27 GAL NGA A2G 0.60241 0.958333
28 BGC GAL NAG GAL FUC FUC 0.602041 0.978723
29 GLC GAL NAG GAL FUC FUC 0.602041 0.978723
30 FUC GAL NAG A2G 0.595745 0.938776
31 A2G GAL NAG FUC 0.595745 0.938776
32 NAG GAL GAL NAG GAL 0.58427 0.958333
33 FUC GAL NAG GAL FUC 0.574468 0.978723
34 NAG MBG 0.567901 0.978723
35 LAT NAG GAL 0.56044 0.978261
36 GLC GAL NAG GAL 0.56044 0.978261
37 BGA 0.556701 0.836364
38 BGC GAL NAG GAL 0.555556 0.978261
39 GAL NAG GAL GLC 0.555556 0.978261
40 FUC NDG GAL 0.551724 1
41 NAG MAN BMA 0.551724 0.978261
42 GAL NDG FUC 0.551724 1
43 GAL NGA GLA BGC GAL 0.548387 0.978261
44 NGA GAL BGC 0.54023 0.978261
45 NAG GAL GAL NAG 0.532609 0.958333
46 GAL NAG GAL NAG GAL NAG 0.532609 0.938776
47 GAL NAG GAL BGC 0.526316 0.9375
48 NAG MAN MMA 0.511111 0.978723
49 FUC NAG GAL FUC 0.51087 0.978723
50 BCW 0.51087 0.978723
51 MAG FUC GAL 0.5 0.958333
52 FUC NDG GAL FUC 0.494624 0.978723
53 GAL NDG FUC FUC 0.494624 0.978723
54 FUC GAL NAG FUC 0.494624 0.978723
55 GAL NAG FUC FUC 0.494624 0.978723
56 FUC GAL NDG FUC 0.494624 0.978723
57 BDZ 0.494624 0.978723
58 MAN BMA NAG 0.494382 0.978261
59 GLA GAL NAG 0.494382 0.978261
60 CBS 0.494118 0.958333
61 NAG GDL 0.494118 0.958333
62 NDG NAG 0.494118 0.958333
63 NAG NGA 0.494118 0.958333
64 NAG A2G 0.494118 0.958333
65 CBS CBS 0.494118 0.958333
66 FUC NAG GAL 0.48913 0.92
67 MBG A2G 0.488372 0.978723
68 A2G MBG 0.488372 0.978723
69 NGA GAL 0.482759 0.916667
70 NAG FUC 0.482353 0.956522
71 FUC GLA GLA 0.482353 0.73913
72 FUC GAL GLA 0.482353 0.73913
73 GLA GLA FUC 0.482353 0.73913
74 GAL GAL FUC 0.482353 0.73913
75 GLA GAL FUC 0.482353 0.73913
76 FUC C4W NAG BMA MAN 0.481818 0.884615
77 FUC NAG GLA GAL 0.48 0.978723
78 FUL GAL NAG 0.478261 1
79 GAL NAG FUC 0.478261 1
80 FUC GAL NDG 0.478261 1
81 NDG GAL FUC 0.478261 1
82 FUC GAL NAG 0.478261 1
83 NAG GAL FUC 0.478261 1
84 DR2 0.478261 1
85 FUC NAG 0.477273 0.9
86 NAG NAG BMA MAN 0.475248 0.884615
87 NAG MAN MAN MAN NAG 0.474747 0.958333
88 DR3 0.473118 1
89 BGC GLA GAL FUC 0.473118 0.73913
90 NAG MAN BMA MAN NAG GAL 0.472222 0.958333
91 NAG NAG NAG NAG NDG 0.47191 0.938776
92 NDG NAG NAG 0.47191 0.938776
93 NAG NAG NDG NAG 0.47191 0.938776
94 NDG NAG NAG NDG 0.47191 0.938776
95 NAG NAG NAG NDG 0.47191 0.938776
96 NAG NAG NDG 0.47191 0.938776
97 NAG NAG NAG NAG NAG 0.47191 0.938776
98 CTO 0.47191 0.938776
99 NAG NAG NAG NAG NAG NAG 0.47191 0.938776
100 NDG NAG NAG NAG 0.47191 0.938776
101 NAG NAG NAG NAG NAG NAG NAG NAG 0.47191 0.938776
102 SGA MAG FUC 0.47 0.692308
103 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.462264 0.92
104 NAG MAN BMA NDG MAN NAG GAL 0.460177 0.938776
105 NAG AMU 0.458333 0.92
106 NAG MUB 0.458333 0.92
107 3QL 0.456522 0.884615
108 NAG NAG BMA MAN MAN NAG GAL NAG 0.45614 0.938776
109 M5G 0.45614 0.958333
110 NAG NAG 0.455556 0.865385
111 NAG NDG 0.455556 0.865385
112 MAN MAN NAG 0.452632 0.9375
113 FUC C4W NAG BMA MAN MAN NAG 0.451613 0.884615
114 BGC BGC BGC GLC BGC BGC 0.451219 0.717391
115 GLC BGC BGC BGC BGC BGC BGC 0.451219 0.717391
116 NAG BMA NAG MAN MAN NAG NAG 0.45045 0.938776
117 NAG MAN MAN 0.447917 0.978261
118 FUC C4W NAG BMA MAN MAN NAG NAG 0.447154 0.884615
119 NAG BDP NAG BDP NAG BDP NAG 0.446602 0.92
120 AH0 NAG 0.443299 0.851852
121 NAG NAG NAG 0.4375 0.867925
122 NAG NAG NAG NAG 0.4375 0.867925
123 GAL NAG MAN 0.43617 0.978261
124 Z4S NAG NAG 0.434343 0.867925
125 NAG MAN 0.433333 0.9375
126 8B7 0.433333 0.73913
127 LAT FUC 0.433333 0.73913
128 GLC GAL FUC 0.433333 0.73913
129 FUC GAL GLC 0.433333 0.73913
130 BGC GAL FUC 0.433333 0.73913
131 NAG GAL 2NA 0.432432 0.865385
132 NAG NAG FUL BMA MAN MAN NAG GAL 0.430894 0.867925
133 GLA GAL GAL 0.430233 0.717391
134 BGC BGC BGC BGC BGC BGC BGC BGC 0.426966 0.717391
135 NAG NAG BMA MAN MAN 0.425926 0.958333
136 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.424528 0.958333
137 1GN ACY GAL ACY 1GN BGC GAL BGC 0.424528 0.958333
138 NAG NAG BMA MAN MAN NAG NAG 0.423729 0.867925
139 NAG NM9 0.42268 0.901961
140 FUC GAL 0.421687 0.717391
141 BMA Z4Y NAG 0.421569 0.957447
142 SIA GAL NGA 0.421053 0.884615
143 GAL NAG GAL 0.418367 0.9375
144 SIA GAL NDG FUC 0.418033 0.884615
145 NDG FUC SIA GAL 0.418033 0.884615
146 NAG FUC SIA GAL 0.418033 0.884615
147 FUC NDG GAL SIA 0.418033 0.884615
148 SIA GLA NAG FUC 0.418033 0.884615
149 SIA GAL NAG FUC 0.418033 0.884615
150 WZ5 0.416667 0.978723
151 MAN BMA NAG NAG MAN NAG GAL GAL 0.415929 0.938776
152 NAG MAN MAN MAN NAG GAL NAG GAL 0.415929 0.938776
153 NAG A2G GAL 0.414141 0.958333
154 FUC C4W NAG BMA 0.412844 0.884615
155 MMA MAN NAG MAN NAG NAG 0.409524 0.92
156 GAL NDG 0.409091 0.978261
157 GAL NGA 0.409091 0.978261
158 NDG GAL 0.409091 0.978261
159 GAL A2G 0.409091 0.978261
160 GAL MGC 0.409091 0.978723
161 NLC 0.409091 0.978261
162 A2G GAL 0.409091 0.978261
163 LEC NGA 0.407767 0.71875
164 MAG 0.407407 0.914894
165 2F8 0.407407 0.914894
166 NOJ NAG NAG 0.405941 0.836364
167 NOJ NAG NAG NAG 0.405941 0.821429
168 NGT NAG 0.40404 0.793103
169 BGB 0.40404 0.648148
170 G4S MAG FUC 0.403846 0.692308
171 SIA GAL NAG GAL BGC 0.403101 0.867925
172 SIA GAL NAG GAL GLC 0.403101 0.867925
173 BGC GAL NAG SIA GAL 0.403101 0.867925
174 FUC C4W NAG BMA MAN NAG 0.401639 0.884615
175 NAG NDG BMA 0.4 0.884615
176 FUC NAG TA5 0.4 0.671642
177 NAG NAG BMA 0.4 0.884615
Ligand no: 3; Ligand: FUC BGC GAL NAG GAL; Similar ligands found: 216
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 LAT NAG GAL 0.72093 0.978261
6 GAL NAG GAL NAG GAL NAG 0.689655 0.938776
7 NAG GAL GAL NAG 0.689655 0.958333
8 GAL NAG GAL BGC 0.677778 0.9375
9 FUC BGC GAL 0.6625 0.73913
10 GLA NAG GAL FUC 0.648352 1
11 GAL NAG GAL FUC 0.648352 1
12 BGC GAL NAG GAL FUC FUC 0.646465 0.978723
13 GLC GAL NAG GAL FUC FUC 0.646465 0.978723
14 GLA GAL NAG FUC GAL GLC 0.64 1
15 BGC FUC GAL FUC A2G 0.631579 0.978723
16 GLC FUC GAL FUC A2G 0.631579 0.978723
17 GAL GLC NAG GAL FUC 0.622449 1
18 FUC GAL NAG GAL BGC 0.622449 1
19 GLC NAG GAL GAL FUC 0.622449 1
20 NAG NAG BMA MAN 0.614583 0.884615
21 FUC C4W NAG BMA MAN 0.609524 0.884615
22 GLC GAL NAG GAL FUC A2G 0.609524 0.938776
23 A2G GAL NAG FUC GAL GLC 0.609524 0.938776
24 NGA GLA GAL BGC 0.602151 0.978261
25 GAL NGA GLA BGC GAL 0.595745 0.978261
26 GAL NAG GAL GLC 0.586957 0.978261
27 BGC GAL NAG GAL 0.586957 0.978261
28 GAL NAG MAN 0.58427 0.978261
29 NAG GAL BGC 0.582418 0.978261
30 GLA GAL NAG 0.579545 0.978261
31 MAN BMA NAG 0.579545 0.978261
32 FUC GAL NAG GAL FUC 0.571429 0.978723
33 GAL NDG FUC 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 NAG BMA MAN MAN 0.553398 0.958333
38 A2G GAL BGC FUC 0.544554 1
39 NAG NAG FUL BMA MAN MAN NAG GAL 0.542373 0.867925
40 FUC C4W NAG BMA 0.538462 0.884615
41 NAG MAN MAN MAN NAG GAL NAG GAL 0.537037 0.938776
42 MAN BMA NAG NAG MAN NAG GAL GAL 0.537037 0.938776
43 NAG NDG BMA 0.536842 0.884615
44 NAG NAG BMA 0.536842 0.884615
45 FUC GAL NAG A2G 0.529412 0.938776
46 A2G GAL NAG FUC 0.529412 0.938776
47 NAG MAN BMA MAN NAG GAL 0.527778 0.958333
48 A2G GLA FUC 0.521277 1
49 NGA GAL FUC 0.521277 1
50 FUC GAL A2G 0.521277 1
51 FUC GLA A2G 0.521277 1
52 A2G GAL FUC 0.521277 1
53 NAG GAL FUC FUC A2G 0.519231 0.938776
54 NAG FUC 0.517241 0.956522
55 MAG FUC GAL 0.516129 0.958333
56 NAG MAN BMA NDG MAN NAG GAL 0.513274 0.938776
57 FUC NAG GLA GAL 0.509804 0.978723
58 NAG NAG BMA MAN MAN NAG GAL NAG 0.508772 0.938776
59 FUC NAG GAL 0.505263 0.92
60 BGC GLA GAL FUC 0.505263 0.73913
61 FUC GAL NAG A2G FUC 0.504762 0.938776
62 FUC C4W NAG BMA MAN MAN NAG 0.5 0.884615
63 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.5 0.958333
64 BGC GAL NAG SIA GAL 0.496 0.867925
65 SIA GAL NAG GAL BGC 0.496 0.867925
66 SIA GAL NAG GAL GLC 0.496 0.867925
67 BCW 0.494845 0.978723
68 FUC NAG GAL FUC 0.494845 0.978723
69 FUC GAL NAG 0.494737 1
70 NDG GAL FUC 0.494737 1
71 FUL GAL NAG 0.494737 1
72 GAL NAG FUC 0.494737 1
73 NAG GAL FUC 0.494737 1
74 FUC GAL NDG 0.494737 1
75 DR2 0.494737 1
76 BGC BGC BGC BGC BGC BGC BGC BGC 0.494382 0.717391
77 NLC 0.494253 0.978261
78 NDG GAL 0.494253 0.978261
79 GAL NDG 0.494253 0.978261
80 NAG NAG BMA MAN MAN MAN MAN 0.491525 0.884615
81 NGA GAL BGC 0.489362 0.978261
82 FUC GAL GLA 0.483146 0.73913
83 GAL GAL FUC 0.483146 0.73913
84 NAG GAL 0.483146 0.978261
85 FUC GLA GLA 0.483146 0.73913
86 GLA GAL FUC 0.483146 0.73913
87 GAL NAG 0.483146 0.978261
88 GLA GLA FUC 0.483146 0.73913
89 GLA GAL GAL 0.482759 0.717391
90 NAG NAG BMA BMA 0.480392 0.851852
91 FUC GAL NDG FUC 0.479592 0.978723
92 FUC NDG GAL FUC 0.479592 0.978723
93 GAL NAG FUC FUC 0.479592 0.978723
94 GAL NDG FUC FUC 0.479592 0.978723
95 BDZ 0.479592 0.978723
96 FUC GAL NAG FUC 0.479592 0.978723
97 GAL NGA A2G 0.478723 0.958333
98 NDG NAG NAG NAG 0.473118 0.938776
99 NDG 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 NAG NAG NAG 0.473118 0.938776
103 NDG NAG NAG 0.473118 0.938776
104 NAG NAG NAG NAG NAG 0.473118 0.938776
105 NAG NAG NDG 0.473118 0.938776
106 NAG NAG NDG NAG 0.473118 0.938776
107 NAG NAG NAG NAG NAG NAG 0.473118 0.938776
108 CTO 0.473118 0.938776
109 GLC BGC BGC BGC BGC BGC BGC 0.470588 0.717391
110 BGC BGC BGC GLC BGC BGC 0.470588 0.717391
111 NAG BMA NAG MAN MAN NAG NAG 0.464912 0.938776
112 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.463636 0.92
113 8VZ 0.460674 0.938776
114 FUC C4W NAG BMA MAN MAN NAG NAG 0.460317 0.884615
115 DR3 0.459184 1
116 M5G 0.457627 0.958333
117 GAL NAG SIA GAL 0.455285 0.867925
118 NAG BMA MAN MAN MAN MAN 0.453704 0.978261
119 BGA 0.453704 0.836364
120 NAG MAN BMA 0.453608 0.978261
121 BGC GAL FUC 0.451613 0.73913
122 8B7 0.451613 0.73913
123 LAT FUC 0.451613 0.73913
124 FUC GAL GLC 0.451613 0.73913
125 GLC GAL FUC 0.451613 0.73913
126 TCG 0.45 0.793103
127 FUC NAG 0.446809 0.9
128 NAG MBG 0.445652 0.978723
129 SGA MAG FUC 0.443396 0.692308
130 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.442478 0.978261
131 NAG NAG NAG 0.44 0.867925
132 NAG NAG NAG NAG 0.44 0.867925
133 FUC C4W NAG BMA MAN NAG 0.439024 0.884615
134 NAG NAG BMA MAN MAN NAG NAG 0.438017 0.867925
135 Z4S NAG NAG 0.436893 0.867925
136 GAL BGC NAG GAL 0.435644 0.978261
137 NAG GDL 0.430108 0.958333
138 CBS 0.430108 0.958333
139 NDG NAG 0.430108 0.958333
140 CBS CBS 0.430108 0.958333
141 FUC NAG TA5 0.429907 0.671642
142 GAL MGC 0.428571 0.978723
143 GAL A2G 0.428571 0.978261
144 A2G GAL 0.428571 0.978261
145 GAL NGA 0.428571 0.978261
146 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.427273 0.958333
147 1GN ACY GAL ACY 1GN BGC GAL BGC 0.427273 0.958333
148 BGB 0.421569 0.648148
149 NAG MAN MMA 0.42 0.978723
150 NAG NAG BMA MAN NAG 0.415254 0.867925
151 NAG BMA 0.414894 0.88
152 NGR 0.411765 0.717391
153 LB2 0.411765 0.717391
154 MAN GLC 0.411765 0.717391
155 M3M 0.411765 0.717391
156 MAN MAN MAN GLC 0.410526 0.717391
157 MBG A2G 0.410526 0.978723
158 A2G MBG 0.410526 0.978723
159 NOJ NAG NAG NAG 0.409524 0.821429
160 NOJ NAG NAG 0.409524 0.836364
161 SIA GLA NAG FUC 0.409449 0.884615
162 SIA GAL NDG FUC 0.409449 0.884615
163 NAG FUC SIA GAL 0.409449 0.884615
164 FUC NDG GAL SIA 0.409449 0.884615
165 SIA GAL NAG FUC 0.409449 0.884615
166 NDG FUC SIA GAL 0.409449 0.884615
167 BMA MAN BMA 0.409091 0.717391
168 MTT 0.409091 0.717391
169 GLC BGC BGC BGC BGC BGC 0.409091 0.717391
170 GLC GAL GAL 0.409091 0.717391
171 CTR 0.409091 0.717391
172 BGC BGC BGC BGC BGC 0.409091 0.717391
173 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.409091 0.717391
174 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.409091 0.717391
175 BMA BMA BMA 0.409091 0.717391
176 CE6 0.409091 0.717391
177 MT7 0.409091 0.717391
178 GLC GLC GLC GLC GLC 0.409091 0.717391
179 GLA GAL BGC 0.409091 0.717391
180 BGC GLC GLC GLC GLC GLC GLC 0.409091 0.717391
181 CE5 0.409091 0.717391
182 CEX 0.409091 0.717391
183 GLC BGC BGC BGC 0.409091 0.717391
184 MLR 0.409091 0.717391
185 BMA BMA BMA BMA BMA 0.409091 0.717391
186 MAN BMA BMA BMA BMA 0.409091 0.717391
187 CT3 0.409091 0.717391
188 GLA GAL GLC 0.409091 0.717391
189 BGC GLC GLC GLC 0.409091 0.717391
190 BGC BGC BGC BGC BGC BGC 0.409091 0.717391
191 MAN BMA BMA BMA BMA BMA 0.409091 0.717391
192 BGC GLC GLC GLC GLC 0.409091 0.717391
193 CE8 0.409091 0.717391
194 DXI 0.409091 0.717391
195 GAL GAL GAL 0.409091 0.717391
196 GLC BGC GLC 0.409091 0.717391
197 MAN BMA BMA 0.409091 0.717391
198 CEY 0.409091 0.717391
199 BGC BGC BGC GLC 0.409091 0.717391
200 BGC GLC GLC 0.409091 0.717391
201 BGC BGC BGC 0.409091 0.717391
202 BGC BGC GLC 0.409091 0.717391
203 MAN MAN BMA BMA BMA BMA 0.409091 0.717391
204 BGC BGC BGC BGC 0.409091 0.717391
205 B4G 0.409091 0.717391
206 BMA BMA BMA BMA BMA BMA 0.409091 0.717391
207 GLC BGC BGC 0.409091 0.717391
208 CTT 0.409091 0.717391
209 GLC GLC BGC 0.409091 0.717391
210 GLC BGC BGC BGC BGC 0.409091 0.717391
211 GLA MAN RAM RAM ABE MAN GLA 0.408333 0.714286
212 NAG MAN MAN MAN NAG 0.407407 0.958333
213 ABD 0.40566 0.956522
214 GAL SIA NGA GAL 0.4 0.884615
215 NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.4 0.9
216 SIA GAL NGA GAL 0.4 0.884615
Similar Binding Sites (Proteins are less than 50% similar to leader) APoc FAQ
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