Receptor
PDB id Resolution Class Description Source Keywords
3ZW2 1.6 Å NON-ENZYME: BINDING STRUCTURE OF THE LECTIN BAMBL FROM BURKHOLDERIA AMBIFARIA IN WITH BLOOD GROUP H TYPE 1 TETRASACCHARIDE BURKHOLDERIA AMBIFARIA SUGAR BINDING PROTEIN CYSTIC FIBROSIS B-PROPELLER HUMAN HISTO-BLOOD GROUP
Ref.: FUCOSE-BINDING LECTIN FROM OPPORTUNISTIC PATHOGEN BURKHOLDERIA AMBIFARIA BINDS TO BOTH PLANT AND HUMA OLIGOSACCHARIDIC EPITOPES. J.BIOL.CHEM. V. 287 4335 2012
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
GAL FUC A:112;
Valid;
none;
submit data
326.298 n/a O(C1O...
GLA NAG GAL FUC C:100;
Valid;
none;
Kd = 26.1 uM
691.633 n/a O=C(N...
NAG GAL FUC A:101;
B:101;
B:111;
C:111;
Valid;
Valid;
Valid;
Valid;
none;
none;
none;
none;
submit data
529.492 n/a O=C(N...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3ZW2 1.6 Å NON-ENZYME: BINDING STRUCTURE OF THE LECTIN BAMBL FROM BURKHOLDERIA AMBIFARIA IN WITH BLOOD GROUP H TYPE 1 TETRASACCHARIDE BURKHOLDERIA AMBIFARIA SUGAR BINDING PROTEIN CYSTIC FIBROSIS B-PROPELLER HUMAN HISTO-BLOOD GROUP
Ref.: FUCOSE-BINDING LECTIN FROM OPPORTUNISTIC PATHOGEN BURKHOLDERIA AMBIFARIA BINDS TO BOTH PLANT AND HUMA OLIGOSACCHARIDIC EPITOPES. J.BIOL.CHEM. V. 287 4335 2012
Members (3)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 473 families.
1 3ZWE - FUC C6 H12 O5 C[C@H]1[C@....
2 3ZZV - NAG GAL FUC n/a n/a
3 3ZW2 Kd = 26.1 uM GLA NAG GAL FUC n/a n/a
70% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 355 families.
1 3ZWE - FUC C6 H12 O5 C[C@H]1[C@....
2 3ZZV - NAG GAL FUC n/a n/a
3 3ZW2 Kd = 26.1 uM GLA NAG GAL FUC n/a n/a
4 5AJB Kd = 25.7 uM FUC NAG GLA GAL n/a n/a
5 2BT9 Kd = 0.64 uM MFU C7 H14 O5 C[C@H]1[C@....
6 2BS6 - XYS GAL FUC n/a n/a
7 4I6S - FUL C6 H12 O5 C[C@H]1[C@....
8 5AJC - FUC NAG n/a n/a
9 3ZI8 - FU4 C6 H12 O4 C[C@H]1[C@....
10 2BS5 Kd = 250 nM BGC GAL FUC n/a n/a
50% Homology Family (10)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 272 families.
1 3ZWE - FUC C6 H12 O5 C[C@H]1[C@....
2 3ZZV - NAG GAL FUC n/a n/a
3 3ZW2 Kd = 26.1 uM GLA NAG GAL FUC n/a n/a
4 5AJB Kd = 25.7 uM FUC NAG GLA GAL n/a n/a
5 2BT9 Kd = 0.64 uM MFU C7 H14 O5 C[C@H]1[C@....
6 2BS6 - XYS GAL FUC n/a n/a
7 4I6S - FUL C6 H12 O5 C[C@H]1[C@....
8 5AJC - FUC NAG n/a n/a
9 3ZI8 - FU4 C6 H12 O4 C[C@H]1[C@....
10 2BS5 Kd = 250 nM BGC GAL FUC n/a n/a
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GAL FUC; Similar ligands found: 249
No: Ligand ECFP6 Tc MDL keys Tc
1 GAL FUC 1 1
2 CBI 0.615385 0.941176
3 LAT 0.615385 0.941176
4 GLC GAL 0.615385 0.941176
5 CBK 0.615385 0.941176
6 BGC GAL 0.615385 0.941176
7 GAL BGC 0.615385 0.941176
8 LBT 0.615385 0.941176
9 BMA GAL 0.615385 0.941176
10 MAL MAL 0.615385 0.914286
11 BMA BMA 0.615385 0.941176
12 GLA GAL 0.615385 0.941176
13 MAB 0.615385 0.941176
14 B2G 0.615385 0.941176
15 N9S 0.615385 0.941176
16 GAL GLC 0.615385 0.941176
17 GLA GLA 0.615385 0.941176
18 GLC BGC 0.615385 0.941176
19 BGC GLC 0.615385 0.941176
20 BGC BMA 0.615385 0.941176
21 MAL 0.615385 0.941176
22 GLA MAN RAM ABE 0.597222 0.891892
23 BGC BGC BGC BGC BGC BGC BGC BGC BGC 0.571429 0.941176
24 CTR 0.571429 0.941176
25 GLC GLC GLC GLC GLC GLC GLC GLC GLC 0.571429 0.941176
26 CE5 0.571429 0.941176
27 BGC BGC BGC GLC 0.571429 0.941176
28 BMA BMA MAN 0.571429 0.914286
29 GLC GLC GLC GLC GLC 0.571429 0.941176
30 CEX 0.571429 0.941176
31 CTT 0.571429 0.941176
32 GLC BGC BGC BGC BGC BGC 0.571429 0.941176
33 BGC GLC GLC GLC 0.571429 0.941176
34 CE8 0.571429 0.941176
35 DXI 0.571429 0.941176
36 CE6 0.571429 0.941176
37 BGC BGC BGC BGC BGC BGC 0.571429 0.941176
38 GLA GAL GLC 0.571429 0.941176
39 GLC BGC GLC 0.571429 0.941176
40 GAL GAL GAL 0.571429 0.941176
41 GLC GLC GLC GLC GLC GLC GLC GLC 0.571429 0.941176
42 CT3 0.571429 0.941176
43 BMA MAN BMA 0.571429 0.941176
44 MAN MAN BMA BMA BMA BMA 0.571429 0.941176
45 GLC GLC BGC 0.571429 0.941176
46 BMA BMA BMA 0.571429 0.941176
47 BGC GLC GLC 0.571429 0.941176
48 BGC GLC GLC GLC GLC 0.571429 0.941176
49 BMA BMA BMA BMA BMA 0.571429 0.941176
50 GLC BGC BGC BGC BGC 0.571429 0.941176
51 MTT 0.571429 0.941176
52 GLC GAL GAL 0.571429 0.941176
53 BMA BMA BMA BMA BMA BMA 0.571429 0.941176
54 MAN BMA BMA 0.571429 0.941176
55 MLR 0.571429 0.941176
56 GLC BGC BGC 0.571429 0.941176
57 GLC GLC GLC GLC GLC GLC GLC 0.571429 0.941176
58 MAN BMA BMA BMA BMA 0.571429 0.941176
59 CEY 0.571429 0.941176
60 B4G 0.571429 0.941176
61 BGC GLC GLC GLC GLC GLC GLC 0.571429 0.941176
62 GLC GLC BGC GLC GLC GLC GLC 0.571429 0.941176
63 MT7 0.571429 0.941176
64 MAN BMA BMA BMA BMA BMA 0.559322 0.914286
65 BMA BMA BMA BMA BMA BMA MAN 0.559322 0.914286
66 M3M 0.555556 0.941176
67 LB2 0.555556 0.941176
68 MAN GLC 0.555556 0.941176
69 BGC BGC 0.537037 0.941176
70 2M4 0.537037 0.941176
71 GLA MBG 0.537037 0.942857
72 MAN MAN 0.537037 0.941176
73 TRE 0.531915 0.941176
74 GLA GAL GAL 0.52459 0.941176
75 GLA GAL BGC 0.52459 0.941176
76 GLA MAN RAM TYV GLA MAN RAM TYV 0.511905 0.868421
77 GLA MAN RAM ABE GLA MAN RAM ABE 0.511905 0.868421
78 LAT GLA 0.509091 0.941176
79 DR5 0.508772 0.942857
80 MMA MAN 0.508772 0.942857
81 BGC BGC BGC 0.508475 0.941176
82 BGC BGC BGC ASO BGC BGC ASO 0.508475 0.941176
83 BGC BGC BGC GLC BGC BGC 0.508475 0.941176
84 GLC BGC BGC BGC BGC BGC BGC 0.508475 0.941176
85 BGC BGC BGC BGC BGC 0.508475 0.941176
86 GLC BGC BGC BGC 0.508475 0.941176
87 GLA EGA 0.508475 0.942857
88 BGC BGC GLC 0.508197 0.941176
89 BMA MAN MAN 0.5 0.941176
90 GLA MAN RAM TYV GLA MAN GLC RAM TYV 0.494253 0.868421
91 BGC BGC BGC BGC 0.492308 0.941176
92 BGC BGC BGC BGC BGC BGC BGC BGC 0.492308 0.941176
93 FUC BGC GAL 0.492308 0.970588
94 BGC GLA GAL FUC 0.486111 0.970588
95 CGC 0.483871 0.941176
96 NOY BGC 0.483333 0.711111
97 MDM 0.482759 0.942857
98 M13 0.482759 0.942857
99 GAL MBG 0.482759 0.942857
100 GLA MAN RAM RAM ABE MAN GLA 0.477778 0.868421
101 LAT FUC 0.477612 0.970588
102 FUC LAT 0.477612 0.970588
103 GLC GAL FUC 0.477612 0.970588
104 FUC GAL GLC 0.477612 0.970588
105 BGC GAL FUC 0.477612 0.970588
106 GLA GLA FUC 0.476923 0.970588
107 FUC GAL GLA 0.476923 0.970588
108 GAL GAL FUC 0.476923 0.970588
109 GLA GAL FUC 0.476923 0.970588
110 FUC GLA GLA 0.476923 0.970588
111 MAN MAN BMA 0.47541 0.941176
112 BMA MAN 0.474576 0.861111
113 GAL BGC BGC XYS 0.472222 0.888889
114 GAL NDG 0.46875 0.733333
115 NDG GAL 0.46875 0.733333
116 GAL NGA 0.46875 0.733333
117 8VZ 0.46875 0.673469
118 GAL A2G 0.46875 0.733333
119 GAL MGC 0.46875 0.702128
120 A2G GAL 0.46875 0.733333
121 NLC 0.46875 0.733333
122 ABD 0.467532 0.75
123 U63 0.466667 0.842105
124 GLC ACI G6D BGC 0.4625 0.785714
125 GLC G6D ACI GLC 0.4625 0.785714
126 GLC ACI GLD GLC 0.4625 0.785714
127 GLC G6D ADH GLC 0.4625 0.785714
128 MVP 0.460317 0.695652
129 T6P 0.457627 0.727273
130 RZM 0.457627 0.652174
131 BMA BMA GLA BMA BMA 0.457143 0.941176
132 GLC GLC XYP 0.455882 0.941176
133 GLC GLC GLC GLC GLC GLC 0.455882 0.941176
134 GLC GAL NAG GAL 0.454545 0.733333
135 9MR 0.451613 0.704545
136 MAN MNM 0.451613 0.711111
137 IFM BMA 0.451613 0.704545
138 MAL EDO 0.451613 0.888889
139 IFM BGC 0.451613 0.704545
140 BMA IFM 0.451613 0.704545
141 DOM 0.45 0.888889
142 BGC GAL NAG GAL 0.447368 0.733333
143 GAL NAG GAL BGC 0.447368 0.733333
144 LAT NAG GAL 0.447368 0.733333
145 GLA GAL BGC 5VQ 0.446154 0.891892
146 GLC GLC GLC BGC 0.442857 0.941176
147 GLC GLC G6D ACI GLC GLC GLC 0.440476 0.785714
148 QV4 0.440476 0.733333
149 FUC NAG GAL 0.438356 0.717391
150 GAL NAG MAN 0.438356 0.733333
151 GAL NAG FUC 0.438356 0.717391
152 FUC NDG GAL 0.438356 0.717391
153 MAN NAG GAL 0.438356 0.733333
154 GAL NDG FUC 0.438356 0.717391
155 ABL 0.4375 0.666667
156 BGC BGC BGC XYS GAL 0.435897 0.888889
157 BMA FRU 0.435484 0.794872
158 FRU GAL 0.435484 0.794872
159 5QP 0.435484 0.833333
160 P3M 0.434783 0.727273
161 GAL GAL SO4 0.432836 0.666667
162 AMG 0.431373 0.857143
163 GYP 0.431373 0.857143
164 MMA 0.431373 0.857143
165 MBG 0.431373 0.857143
166 GLA MAN ABE 0.430556 0.916667
167 MAN MAN MAN MAN 0.428571 0.941176
168 MAN MAN BMA MAN 0.428571 0.941176
169 GLC GLC BGC XYS BGC XYS 0.428571 0.888889
170 ABC 0.428571 0.695652
171 BGC OXZ 0.428571 0.632653
172 GLA GAL GLC NBU 0.426471 0.846154
173 GLA NAG GAL FUC 0.425 0.717391
174 GAL NGA GLA BGC GAL 0.425 0.733333
175 GAL NAG GAL FUC 0.425 0.717391
176 NGA GAL BGC 0.424658 0.733333
177 GLC ACI G6D GLC 0.423529 0.733333
178 GLC ACI GLD GAL 0.423529 0.733333
179 NAG GAL GAL NAG GAL 0.423077 0.6875
180 GAL NGA A2G 0.422535 0.673469
181 FMO 0.421875 0.820513
182 NOJ GLC 0.421875 0.688889
183 GLC DMJ 0.421875 0.688889
184 MAN MAN MAN GLC 0.42029 0.941176
185 FUC GAL 0.419355 1
186 MAG FUC GAL 0.418919 0.6875
187 XYS BGC BGC XYS BGC XYS BGC BGC BGC 0.417722 0.888889
188 BGC BGC BGC XYS BGC BGC 0.417722 0.888889
189 XYS BGC BGC BGC BGC XYS BGC BGC BGC 0.417722 0.888889
190 BMA GLA 0.416667 0.941176
191 MLB 0.416667 0.941176
192 BGC 0.416667 0.848485
193 WOO 0.416667 0.848485
194 BMA 0.416667 0.848485
195 MAN BMA 0.416667 0.941176
196 GLC 0.416667 0.848485
197 BGC GLA 0.416667 0.941176
198 GLA GLC 0.416667 0.941176
199 GAL 0.416667 0.848485
200 GIV 0.416667 0.848485
201 GXL 0.416667 0.848485
202 ALL 0.416667 0.848485
203 LAK 0.416667 0.941176
204 GAL GAL 0.416667 0.941176
205 GLA 0.416667 0.848485
206 GLA BGC 0.416667 0.941176
207 GLA BMA 0.416667 0.941176
208 LSE 0.416667 0.6875
209 MAN 0.416667 0.848485
210 G3I 0.414286 0.727273
211 LMT 0.414286 0.785714
212 G2I 0.414286 0.727273
213 DMU 0.414286 0.785714
214 UMQ 0.414286 0.785714
215 LMU 0.414286 0.785714
216 MAN DGO 0.412698 0.861111
217 MAN BMA NAG 0.410959 0.733333
218 GLA MMA ABE 0.410959 0.868421
219 NAG GAL GAL 0.410959 0.733333
220 GLA GAL NAG 0.410959 0.733333
221 MAN MAN MAN BMA MAN 0.407895 0.941176
222 ISX 0.40625 0.72093
223 MAN MMA MAN 0.405797 0.942857
224 NAG BMA 0.405797 0.653061
225 GLC GLC GLC GLC 0.405797 0.941176
226 G2F BGC BGC BGC BGC BGC 0.405797 0.820513
227 ACR GLC GLC GLC 0.404494 0.733333
228 AAO 0.404494 0.733333
229 ARE 0.404494 0.733333
230 GLC GLC ACI G6D GLC GLC 0.404494 0.733333
231 GLC GLC DAF BGC 0.404494 0.733333
232 GLC GLC AGL HMC GLC 0.404494 0.733333
233 MAN 7D1 0.403226 0.837838
234 GLC GLC GLC GLC BGC 0.403226 0.941176
235 MAN MAN MAN 0.403226 0.941176
236 GLC GLC GLC 0.403226 0.941176
237 GLC GLC GLC GLC GLC BGC 0.403226 0.941176
238 4RS 0.402985 0.825
239 M5S 0.402778 0.941176
240 MAN BMA MAN MAN MAN 0.402778 0.941176
241 NAG GAL BGC 0.402597 0.733333
242 GAL BGC BGC BGC XYS BGC XYS 0.4 0.888889
243 XGP 0.4 0.697674
244 BGC BGC BGC XYS BGC XYS GAL 0.4 0.888889
245 M1P 0.4 0.697674
246 G1P 0.4 0.697674
247 MAN IFM 0.4 0.72093
248 GL1 0.4 0.697674
249 GLC IFM 0.4 0.72093
Ligand no: 2; Ligand: GLA NAG GAL FUC; Similar ligands found: 145
No: Ligand ECFP6 Tc MDL keys Tc
1 GLA NAG GAL FUC 1 1
2 GAL NAG GAL FUC 1 1
3 FUC GAL NAG GAL FUC 0.822785 0.978723
4 MAG FUC GAL 0.701299 0.958333
5 FUC NAG GLA GAL 0.694118 0.978723
6 GAL NAG FUC 0.679487 1
7 FUC NDG GAL 0.679487 1
8 GAL NDG FUC 0.679487 1
9 FUC NAG GAL 0.679487 1
10 BGC GAL NAG GAL FUC FUC 0.663043 0.978723
11 GLC GAL NAG GAL FUC FUC 0.663043 0.978723
12 FUC BGC GAL NAG GAL 0.648352 1
13 FUC BGC GAL 0.618421 0.73913
14 FUC BGC GAL NAG 0.617977 1
15 NAG GAL GAL NAG GAL 0.611765 0.958333
16 FUC GAL MAG FUC 0.569767 0.958333
17 NAG GAL 0.564103 0.978261
18 NGA GAL 0.564103 0.978261
19 GAL NAG 0.564103 0.978261
20 SGA MAG FUC 0.56044 0.725806
21 GLA GAL NAG FUC GAL GLC 0.555556 1
22 FUC GAL NAG GAL BGC 0.552083 1
23 FUC NDG GAL FUC 0.551724 0.978723
24 FUC GAL NDG FUC 0.551724 0.978723
25 BCW 0.551724 0.978723
26 GAL NAG FUC FUC 0.551724 0.978723
27 BDZ 0.551724 0.978723
28 GAL NDG FUC FUC 0.551724 0.978723
29 FUC GAL NAG FUC 0.551724 0.978723
30 FUC NAG GAL FUC 0.551724 0.978723
31 M3M 0.549296 0.717391
32 MAN GLC 0.549296 0.717391
33 LB2 0.549296 0.717391
34 G4S MAG FUC 0.532609 0.725806
35 FUC GAL A2G 0.528736 1
36 A2G GLA FUC 0.528736 1
37 FUC GLA A2G 0.528736 1
38 A2G GAL FUC 0.528736 1
39 NGA GAL FUC 0.528736 1
40 FUC GL0 A2G 0.528736 1
41 GAL NAG GAL BGC 0.52809 0.978261
42 BGC GAL NAG GAL 0.52809 0.978261
43 LAT NAG GAL 0.52809 0.978261
44 GLC FUC GAL FUC A2G 0.526316 0.978723
45 BGC FUC GAL FUC A2G 0.526316 0.978723
46 GAL GAL FUC 0.525 0.73913
47 FUC GLA GLA 0.525 0.73913
48 GLA GAL FUC 0.525 0.73913
49 FUC GAL GLA 0.525 0.73913
50 GLA GLA FUC 0.525 0.73913
51 FUC NAG 0.525 0.978261
52 GAL NGA GLA BGC GAL 0.521739 0.978261
53 BGC BGC BGC GLC BGC BGC 0.513158 0.717391
54 BGC BGC BGC 0.513158 0.717391
55 GLC BGC BGC BGC BGC BGC BGC 0.513158 0.717391
56 BGC BGC BGC BGC BGC 0.513158 0.717391
57 BGC BGC BGC ASO BGC BGC ASO 0.513158 0.717391
58 GLC BGC BGC BGC 0.513158 0.717391
59 BGC BGC GLC 0.512821 0.717391
60 DR3 0.511364 1
61 NAG GAL FUC 0.511364 1
62 FUC GAL NAG A2G FUC 0.510204 0.938776
63 NAG GAL FUC FUC A2G 0.510204 0.938776
64 BMA MAN MAN 0.506329 0.717391
65 NAG FUC 0.506173 0.956522
66 FUL GAL NAG 0.5 1
67 GAL NGA 0.5 0.978261
68 FUC GAL NDG 0.5 1
69 GLC GAL NAG GAL FUC A2G 0.5 0.938776
70 DR2 0.5 1
71 FUC GAL NAG 0.5 1
72 A2G GAL 0.5 0.978261
73 GLC GAL NAG GAL 0.5 0.978261
74 A2G GAL NAG FUC GAL GLC 0.5 0.938776
75 GAL A2G 0.5 0.978261
76 NDG GAL FUC 0.5 1
77 A2G GAL BGC FUC 0.489796 1
78 GAL NAG GAL NAG GAL NAG 0.48913 0.938776
79 NAG GAL GAL NAG 0.48913 0.958333
80 NAG MAN GAL MAN MAN NAG GAL 0.485149 0.958333
81 GLA GAL NAG 0.482759 0.978261
82 MAN BMA NAG 0.482759 0.978261
83 NAG GAL GAL 0.482759 0.978261
84 GAL MGC 0.481481 0.978723
85 NLC 0.481481 0.978261
86 NDG GAL 0.481481 0.978261
87 GAL NDG 0.481481 0.978261
88 BGC GLA GAL FUC 0.477778 0.73913
89 FUC GAL NAG NON FUC 0.475728 0.836364
90 SIA NAG GAL GAL 0.473214 0.867925
91 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.466019 0.92
92 NGA GLA GAL BGC 0.463158 0.978261
93 A2G GAL NAG FUC 0.46 0.938776
94 GAL NGA A2G 0.45977 0.938776
95 CGC 0.45679 0.717391
96 NAG GAL BGC 0.456522 0.978261
97 GAL NAG MAN 0.455556 0.978261
98 MAN NAG GAL 0.455556 0.978261
99 BGC GAL FUC 0.453488 0.73913
100 FUC LAT 0.453488 0.73913
101 LAT FUC 0.453488 0.73913
102 GLC GAL FUC 0.453488 0.73913
103 FUC GAL GLC 0.453488 0.73913
104 GAL NAG GAL 0.451613 0.9375
105 8VZ 0.445783 0.938776
106 SIA GAL MAG FUC 0.444444 0.849057
107 FUC GAL 0.443038 0.717391
108 FUC GAL NAG A2G 0.441176 0.851852
109 NAG NAG BMA MAN 0.435644 0.884615
110 SIA GAL NDG FUC 0.432203 0.884615
111 FUC NDG GAL SIA 0.432203 0.884615
112 SIA GLA NAG FUC 0.432203 0.884615
113 SIA GAL NAG FUC 0.432203 0.884615
114 NAG FUC SIA GAL 0.432203 0.884615
115 NDG FUC SIA GAL 0.432203 0.884615
116 NAG NDG BMA 0.431579 0.884615
117 NAG NAG BMA 0.431579 0.884615
118 NAG BMA 0.430233 0.88
119 NGA GAL BGC 0.428571 0.978261
120 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.427184 0.958333
121 1GN ACY GAL ACY 1GN BGC GAL BGC 0.427184 0.958333
122 BGA 0.427184 0.836364
123 NAG GAL NAG 0.425532 0.958333
124 GAL FUC 0.425 0.717391
125 NGA SER GAL 0.423913 0.9
126 GAL SER A2G 0.423913 0.9
127 A2G SER GAL 0.423913 0.9
128 GAL TNR 0.423913 0.9
129 GAL A2G MBN 0.421053 0.918367
130 GAL BGC NAG GAL 0.421053 0.978261
131 BGB 0.421053 0.648148
132 SIA GAL NAG GAL 0.420168 0.867925
133 GAL NAG SIA GAL 0.420168 0.867925
134 LOG GAL 0.41573 0.789474
135 GAL LOG 0.41573 0.789474
136 BGC RAM BGC GAD 0.413462 0.7
137 GAL A2G THR 0.410526 0.92
138 GAL SIA NGA GAL 0.410256 0.884615
139 NAG MAN MAN MAN NAG 0.405941 0.958333
140 NOK GAL 0.404494 0.8
141 GAL NOK 0.404494 0.8
142 MAN MAN NAG MAN NAG 0.401869 0.958333
143 NAG NAG BMA MAN MAN 0.401869 0.958333
144 GLA GAL BGC 0.4 0.717391
145 GLA GAL GAL 0.4 0.717391
Ligand no: 3; Ligand: NAG GAL FUC; Similar ligands found: 149
No: Ligand ECFP6 Tc MDL keys Tc
1 DR3 1 1
2 NAG GAL FUC 1 1
3 FUC NAG 0.796875 0.978261
4 FUC GAL NDG FUC 0.753425 0.978723
5 FUC GAL NAG FUC 0.753425 0.978723
6 GAL NDG FUC FUC 0.753425 0.978723
7 FUC NDG GAL FUC 0.753425 0.978723
8 FUC NAG GAL FUC 0.753425 0.978723
9 BCW 0.753425 0.978723
10 GAL NAG FUC FUC 0.753425 0.978723
11 BDZ 0.753425 0.978723
12 FUC GAL NAG 0.712329 1
13 NDG GAL FUC 0.712329 1
14 FUC GAL NDG 0.712329 1
15 DR2 0.712329 1
16 FUL GAL NAG 0.712329 1
17 A2G GAL 0.661765 0.978261
18 GAL NGA 0.661765 0.978261
19 GAL A2G 0.661765 0.978261
20 FUC GAL MAG FUC 0.641026 0.958333
21 FUC GAL NAG GAL BGC 0.632184 1
22 FUC GAL NAG GAL FUC 0.630952 0.978723
23 GAL NDG FUC 0.61039 1
24 FUC NAG GAL 0.61039 1
25 GAL NAG FUC 0.61039 1
26 FUC NDG GAL 0.61039 1
27 GAL NGA A2G 0.6 0.938776
28 GLC GAL FUC 0.594595 0.73913
29 BGC GAL FUC 0.594595 0.73913
30 LAT FUC 0.594595 0.73913
31 FUC GAL GLC 0.594595 0.73913
32 FUC LAT 0.594595 0.73913
33 FUC GAL NAG A2G 0.590909 0.851852
34 NAG A2G 0.589041 0.958333
35 NAG NGA 0.589041 0.958333
36 NAG FUC 0.575342 0.956522
37 FUC GLA A2G 0.555556 1
38 A2G GAL FUC 0.555556 1
39 FUC GAL A2G 0.555556 1
40 A2G GLA FUC 0.555556 1
41 NGA GAL FUC 0.555556 1
42 FUC GL0 A2G 0.555556 1
43 BGC GAL NAG GAL FUC FUC 0.553191 0.978723
44 GLC GAL NAG GAL FUC FUC 0.553191 0.978723
45 FUC GAL NAG A2G FUC 0.549451 0.938776
46 NAG GAL FUC FUC A2G 0.549451 0.938776
47 NAG BDP 0.545455 0.897959
48 XYS GAL FUC 0.544304 0.723404
49 FUC GAL 0.528571 0.717391
50 A2G GAL NAG FUC 0.527473 0.938776
51 NAG GCU NAG GCU NAG GCU 5AX 0.516484 0.92
52 NAG BDP NAG BDP NAG BDP NAG 0.516484 0.92
53 GLA GAL NAG FUC GAL GLC 0.515464 1
54 MAG FUC GAL 0.512195 0.958333
55 GAL NAG GAL FUC 0.511364 1
56 GLA NAG GAL FUC 0.511364 1
57 A2G GAL BGC FUC 0.51087 1
58 FUC GAL NAG NON FUC 0.510417 0.836364
59 GLC FUC GAL FUC A2G 0.5 0.978723
60 EAG RAM RAM GLC RAM NAG RAM RAM GLC RAM 0.5 0.92
61 BGC FUC GAL FUC A2G 0.5 0.978723
62 GC4 NAG 0.5 0.897959
63 UCD 0.493976 0.88
64 GAL GAL FUC 0.493506 0.73913
65 FUC GLA GLA 0.493506 0.73913
66 GLA GAL FUC 0.493506 0.73913
67 FUC GAL GLA 0.493506 0.73913
68 GLA GLA FUC 0.493506 0.73913
69 GLC GAL NAG GAL FUC A2G 0.490196 0.938776
70 A2G GAL NAG FUC GAL GLC 0.490196 0.938776
71 1GN ACY GAL ACY 1GN BGC GAL BGC 0.489362 0.958333
72 ACY 1GN GAL 1GN BGC ACY GAL BGC 0.489362 0.958333
73 BHG FUC 0.481481 0.648148
74 4YA 0.481481 0.648148
75 FUC BHG 0.481481 0.648148
76 BMA MAN MAN 0.473684 0.717391
77 FUC BGC GAL NAG 0.473118 1
78 NAG GAD 0.470588 0.862745
79 GCD NGA 0.470588 0.862745
80 GAD NDG 0.470588 0.862745
81 NGA GCD 0.470588 0.862745
82 BHE 0.46988 0.648148
83 FUC BGC GAL 0.468354 0.73913
84 GAL MGC 0.467532 0.978723
85 NLC 0.467532 0.978261
86 GAL NDG 0.467532 0.978261
87 NDG GAL 0.467532 0.978261
88 BGC GLA GAL FUC 0.465116 0.73913
89 MAN MAN NAG 0.45977 0.9375
90 FUC BGC GAL NAG GAL 0.459184 1
91 RAM GLC GAL NAG NAG GLC 0.456897 0.884615
92 NAG MAN MMA 0.453488 0.978723
93 MAN MAN BMA 0.453333 0.717391
94 AMU 0.447368 0.893617
95 BMA NAG MAN MAN MAN MAN MAN MAN MAN 0.445545 0.978261
96 FUC NAG GLA GAL 0.442105 0.978723
97 G4S MAG FUC 0.44086 0.725806
98 FUC GAL NGA 0.438202 0.93617
99 NAG MAN MAN MAN NAG 0.43617 0.958333
100 SGA MAG FUC 0.43617 0.725806
101 MAN BMA NAG 0.435294 0.978261
102 M6P MAN MAN 0.435294 0.6
103 GLA GAL NAG 0.435294 0.978261
104 NAG GAL GAL 0.435294 0.978261
105 BGC GAL NAG GAL 0.433333 0.978261
106 GAL NAG GAL BGC 0.433333 0.978261
107 LAT NAG GAL 0.433333 0.978261
108 NAG BDP NAG BDP 0.431373 0.867925
109 NAG MAN GAL MAN MAN NAG GAL 0.43 0.958333
110 NAG BDP NAG BDP NAG BDP 0.428571 0.884615
111 BGA 0.428571 0.836364
112 MAN MAN MAN GLC 0.426829 0.717391
113 GAL NAG MAN 0.425287 0.978261
114 MAN NAG GAL 0.425287 0.978261
115 MAN NAG 0.425 0.978261
116 GAL BGC NAG GAL 0.422222 0.978261
117 NGA GAL 0.419753 0.978261
118 GAL NAG 0.419753 0.978261
119 NAG GAL 0.419753 0.978261
120 FUC NAG TA5 0.419355 0.681818
121 NAG MAN MAN MAN NAG GAL NAG GAL 0.419048 0.938776
122 NAG MAN GAL BMA NAG MAN NAG GAL 0.419048 0.938776
123 NAG MAN GAL BMA NDG MAN NAG GAL 0.419048 0.938776
124 MAN BMA NAG NAG MAN NAG GAL GAL 0.419048 0.938776
125 NAG MUB 0.417582 0.92
126 NAG AMU 0.417582 0.92
127 GLA MBG 0.416667 0.723404
128 GAL NGA GLA BGC GAL 0.414894 0.978261
129 NAG GDL 0.414634 0.958333
130 CBS CBS 0.414634 0.958333
131 NAG NDG 0.414634 0.958333
132 CBS 0.414634 0.958333
133 8VZ 0.4125 0.938776
134 A2G SER GAL 0.409091 0.9
135 GAL SER A2G 0.409091 0.9
136 NGA SER GAL 0.409091 0.9
137 GAL TNR 0.409091 0.9
138 GAL A2G MBN 0.406593 0.918367
139 NAG MAN BMA 0.406593 0.978261
140 NAG MAN MAN 0.406593 0.978261
141 NAG BMA NAG MAN MAN NAG NAG 0.401869 0.938776
142 NAG NAG BMA MAN MAN MAN MAN MAN MAN MAN 0.401786 0.958333
143 NAG MAN BMA NDG MAN NAG GAL 0.4 0.938776
144 BM3 0.4 0.869565
145 NDG 0.4 0.869565
146 HSQ 0.4 0.869565
147 NGA 0.4 0.869565
148 NAG 0.4 0.869565
149 A2G 0.4 0.869565
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3ZW2; Ligand: GLA NAG GAL FUC; Similar sites found: 59
This union binding pocket(no: 1) in the query (biounit: 3zw2.bio1) has 20 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4NS0 PIO 0.0005088 0.50129 None
2 2BOS GLA GAL 0.001595 0.47771 None
3 2BOS GLA GAL GLC 0.002007 0.46601 None
4 1DZT ATY 0.002996 0.45071 None
5 4M1U A2G MBG 0.007431 0.43291 None
6 5I8T LAC 0.005757 0.43114 None
7 5HV0 AKG 0.005036 0.41563 None
8 1DZT TPE 0.01707 0.41018 None
9 3MTX PGT 0.01468 0.41003 None
10 3LQV ADE 0.02629 0.40528 None
11 4CQK PIO 0.01952 0.40507 None
12 4MJ0 SIA SIA GAL 0.02019 0.40348 None
13 2HKA C3S 0.003482 0.40273 None
14 5F6U 5VK 0.03088 0.40036 None
15 2HZQ STR 0.0006581 0.48248 2.29885
16 4XBA 5GP 0.009071 0.40393 2.29885
17 5KWY C3S 0.004754 0.41278 3.44828
18 3OID TCL 0.01603 0.40857 3.44828
19 5WSY 7UC 0.01451 0.40634 3.44828
20 3VV1 GAL FUC 0.0116 0.40616 3.44828
21 4J25 OGA 0.004826 0.43633 4.5977
22 4G05 JZ3 0.02251 0.42188 4.5977
23 4FFG 0U8 0.01407 0.41954 4.5977
24 4AZT LY2 0.006679 0.41839 4.5977
25 4FFG LBS 0.006991 0.41491 4.5977
26 5DCH 1YO 0.01674 0.409 4.5977
27 3N1S 5GP 0.002351 0.43531 5.04202
28 3E7S AT2 0.007754 0.42758 5.74713
29 2FCU AKG 0.007115 0.42709 5.74713
30 1EOC 4NC 0.004671 0.42585 5.74713
31 5DBX ANP 0.004109 0.42396 5.74713
32 3X01 AMP 0.01039 0.4201 5.74713
33 1Y7P RIP 0.01233 0.41817 5.74713
34 1AV5 AP2 0.001149 0.44985 6.89655
35 4X17 SIA SIA 0.01228 0.40992 6.89655
36 3QRC SCR 0.0009298 0.44494 8.04598
37 1S68 AMP 0.006432 0.4287 8.04598
38 5W0N UPU 0.008993 0.42133 8.04598
39 3KFF XBT 0.01218 0.41464 8.04598
40 3KFF ZBT 0.01218 0.41464 8.04598
41 1Y2F WAI 0.01404 0.41048 9.1954
42 4INI AMP 0.003076 0.42542 10.3448
43 4GLW NMN 0.02775 0.40941 10.3448
44 5BVB DOG 0.02358 0.4009 10.3448
45 2YIP YIO 0.008744 0.42887 11.4943
46 2ET1 GLV 0.01414 0.41394 11.4943
47 2PCU ASP 0.01159 0.41116 11.4943
48 3OV6 MK0 0.01351 0.40598 12.6437
49 1I7M PUT 0.03098 0.40251 12.6437
50 3DZ6 PUT 0.0178 0.40266 13.7931
51 2Z77 NCA 0.006995 0.42686 14.9425
52 1MJT ITU 0.01507 0.4221 14.9425
53 1GU3 BGC BGC BGC BGC BGC 0.01428 0.41114 14.9425
54 5OO5 UUA 0.008412 0.4017 16.092
55 4JGP PYR 0.01471 0.4117 18.3908
56 2BKK ADP 0.008377 0.40947 19.5402
57 3B00 16A 0.01223 0.40176 19.5402
58 5CEO 50D 0.003371 0.41551 22.9885
59 4XAC AKG 0.01095 0.41839 27.5862
Pocket No.: 2; Query (leader) PDB : 3ZW2; Ligand: NAG GAL FUC; Similar sites found: 36
This union binding pocket(no: 2) in the query (biounit: 3zw2.bio1) has 18 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4NS0 PIO 0.00117 0.46872 None
2 2BOS GLA GAL GLC 0.004882 0.42946 None
3 2BOS GLA GAL 0.004287 0.42172 None
4 5HV0 AKG 0.003041 0.4212 None
5 4M1U A2G MBG 0.01136 0.41991 None
6 5KEW 6SB 0.01192 0.41294 None
7 5F6U 5VK 0.02038 0.40907 None
8 4M26 AKG 0.01484 0.40865 None
9 5I8T LAC 0.01403 0.40749 None
10 3MTX PGT 0.01846 0.40746 None
11 2HZQ STR 0.004248 0.43595 2.29885
12 1Y9Q MED 0.008631 0.42015 2.29885
13 3JZ0 CLY 0.022 0.40206 2.29885
14 2DHC DCE 0.01279 0.40715 3.44828
15 4J25 OGA 0.006117 0.42666 4.5977
16 4YEE 4CQ 0.01312 0.41063 4.5977
17 1NJJ GET 0.008793 0.40848 4.5977
18 4FFG LBS 0.01094 0.40349 4.5977
19 5JSP DQY 0.01898 0.40246 4.5977
20 2FCU AKG 0.01013 0.41572 5.74713
21 3AVS OGA 0.01006 0.41006 5.74713
22 4GC1 MAN MAN 0.004149 0.40803 5.74713
23 1Y2F WAI 0.01641 0.40338 9.1954
24 4GQP B40 0.002503 0.44614 10.3448
25 5BVB DOG 0.0197 0.40264 10.3448
26 4IAW LIZ 0.01284 0.40066 10.3448
27 2OG7 SIN 0.006375 0.42737 11.4943
28 1REQ DCA 0.02891 0.40873 11.4943
29 2YIP YIO 0.01807 0.40685 11.4943
30 3I27 SID 0.01586 0.40481 11.4943
31 1I7M PUT 0.0269 0.40552 12.6437
32 4B1M FRU FRU 0.01679 0.40607 16.092
33 2OMN IPH 0.01309 0.41797 17.2414
34 5EVY SAL 0.01256 0.41186 17.2414
35 4RLT FSE 0.001116 0.44573 28.7356
36 2JIG PD2 0.005777 0.42181 33.3333
Pocket No.: 3; Query (leader) PDB : 3ZW2; Ligand: GAL FUC; Similar sites found: 33
This union binding pocket(no: 3) in the query (biounit: 3zw2.bio1) has 17 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 4NS0 PIO 0.0008896 0.47389 None
2 4M1U A2G MBG 0.007809 0.42778 None
3 5HV0 AKG 0.001956 0.42354 None
4 2BOS GLA GAL 0.003908 0.42343 None
5 2BOS GLA GAL GLC 0.00441 0.41808 None
6 3MTX PGT 0.01575 0.41446 None
7 4M26 AKG 0.01472 0.40653 None
8 5KEW 6SB 0.01556 0.40498 None
9 1X0P FAD 0.009917 0.40189 None
10 5F6U 5VK 0.02516 0.40157 None
11 5I8T LAC 0.01725 0.40081 None
12 2HZQ STR 0.009219 0.41598 2.29885
13 1OI6 TMP 0.0119 0.4129 2.29885
14 3A16 PXO 0.02337 0.40717 3.44828
15 4J25 OGA 0.00608 0.42445 4.5977
16 1NJJ GET 0.007219 0.41026 4.5977
17 4FFG LBS 0.008933 0.40896 4.5977
18 4YEE 4CQ 0.01604 0.40366 4.5977
19 1Y7P RIP 0.005556 0.41919 5.74713
20 3AVS OGA 0.009301 0.40948 5.74713
21 4GJY OGA 0.01576 0.40712 8.04598
22 4IAW LIZ 0.004803 0.42336 10.3448
23 4JE5 PMP 0.009086 0.40555 10.3448
24 4JE5 PLP 0.009861 0.40387 10.3448
25 1REQ DCA 0.02891 0.41208 11.4943
26 3I27 SID 0.01276 0.40734 11.4943
27 2OG7 SIN 0.01569 0.40229 11.4943
28 1I7M PUT 0.02456 0.40791 12.6437
29 4N14 WR7 0.008134 0.41121 14.9425
30 4B1M FRU FRU 0.01391 0.40844 16.092
31 2OMN IPH 0.02072 0.40101 17.2414
32 2JIG PD2 0.005396 0.42092 33.3333
33 4K55 H6P 0.0104 0.40475 36.7816
Pocket No.: 4; Query (leader) PDB : 3ZW2; Ligand: NAG GAL FUC; Similar sites found: 46
This union binding pocket(no: 4) in the query (biounit: 3zw2.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 1DZT ATY 0.001971 0.45123 None
2 4XCB AKG 0.004258 0.42854 None
3 4DSU BZI 0.007011 0.42337 None
4 4CQK PIO 0.01282 0.40573 None
5 1DZT TPE 0.01819 0.40321 None
6 5H9P TD2 0.01551 0.40081 None
7 5GZ9 MAN 0.00864 0.40324 2.29885
8 4XBA 5GP 0.00408 0.40271 2.29885
9 3GC0 AMP 0.003437 0.41491 3.44828
10 5KWY C3S 0.002586 0.40623 3.44828
11 3VV1 GAL FUC 0.008082 0.40365 3.44828
12 4G05 JZ3 0.01469 0.42533 4.5977
13 4FFG 0U8 0.009749 0.42054 4.5977
14 4AZT LY2 0.005546 0.41319 4.5977
15 3N1S 5GP 0.001496 0.43087 5.04202
16 5DBX ANP 0.002096 0.42472 5.74713
17 3X01 AMP 0.006422 0.42174 5.74713
18 1XK5 TPG 0.009344 0.41673 5.74713
19 1Y7P RIP 0.01044 0.41283 5.74713
20 3WXL ADP 0.01037 0.40341 5.74713
21 3E7S AT2 0.01542 0.40063 5.74713
22 1AV5 AP2 0.0006361 0.44689 6.89655
23 5CX6 CDP 0.01389 0.40501 6.89655
24 2BO4 FLC 0.01878 0.40217 6.89655
25 4X17 SIA SIA 0.01242 0.40105 6.89655
26 3QRC SCR 0.0005003 0.46038 8.04598
27 4L3L 5FI 0.01001 0.42583 8.04598
28 1S68 AMP 0.005575 0.42277 8.04598
29 3H9R TAK 0.006383 0.41494 8.04598
30 2WQP WQP 0.02295 0.40503 8.04598
31 4A91 GLU 0.001858 0.43572 9.1954
32 5J75 6GQ 0.004115 0.40207 9.1954
33 4INI AMP 0.001445 0.42293 10.3448
34 3OZV FAD 0.02269 0.42206 10.3448
35 5KO1 6UY 0.002292 0.40705 10.3448
36 4GLW NMN 0.02142 0.40614 10.3448
37 5KJW 53C 0.01422 0.406 10.3448
38 3OV6 MK0 0.01273 0.42183 12.6437
39 1JL0 PUT 0.008497 0.41962 13.7931
40 1MJT ITU 0.01791 0.40566 14.9425
41 2Z77 NCA 0.01347 0.40384 14.9425
42 3ZOK NAD 0.03305 0.40186 16.092
43 4JGP PYR 0.006161 0.42248 18.3908
44 4EIP FAD 0.04269 0.40823 21.8391
45 5CEO 50D 0.001445 0.45028 22.9885
46 4XAC AKG 0.01027 0.41136 27.5862
Pocket No.: 5; Query (leader) PDB : 3ZW2; Ligand: NAG GAL FUC; Similar sites found: 19
This union binding pocket(no: 5) in the query (biounit: 3zw2.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
1 2QL9 CIT 0.006672 0.41761 None
2 2HKA C3S 0.000957 0.40504 None
3 4MJ0 SIA SIA GAL 0.01499 0.40235 None
4 4QM9 CYS 0.01681 0.40123 None
5 1OI6 TMP 0.00931 0.41786 2.29885
6 3OID TCL 0.00984 0.41059 3.44828
7 4FE2 ASP 0.0101 0.40829 4.5977
8 1OIK AKG 0.009907 0.41101 5.74713
9 3RGA LSB 0.002731 0.40662 5.74713
10 3AGC RCC 0.02378 0.40425 6.89655
11 4LED XXR 0.002075 0.43018 8.04598
12 4CJN QNZ 0.01581 0.40808 8.04598
13 4BPZ GLC BGC BGC 0.01195 0.40185 10.3448
14 2ET1 GLV 0.009513 0.41415 11.4943
15 2PCU ASP 0.008545 0.40886 11.4943
16 2JBM SRT 0.02494 0.41285 14.9425
17 5OO5 UUA 0.002497 0.40766 16.092
18 3B00 16A 0.006172 0.4046 19.5402
19 4K55 H6P 0.004409 0.42129 36.7816
Pocket No.: 6; Query (leader) PDB : 3ZW2; Ligand: NAG GAL FUC; Similar sites found: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3zw2.bio1) has 16 residues
No: Leader PDB Ligand P-value (APoc) PS_Score (APoc) Sequence Similarity
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