Receptor
PDB id Resolution Class Description Source Keywords
3UYW 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURES OF GLOBULAR HEAD OF 2009 PANDEMIC H1N1 HEMAGGLUTININ INFLUENZA A VIRUS INFLUENZA VIRUS SUBUNIT VACCINE HEMAGGLUTININ (HA) VIRAL
Ref.: STRUCTURAL VACCINOLOGY: STRUCTURE-BASED DESIGN OF I A VIRUS HEMAGGLUTININ SUBTYPE-SPECIFIC SUBUNIT VACC PROTEIN CELL V. 2 997 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
TAU A:1;
C:1;
Valid;
Valid;
none;
none;
submit data
125.147 C2 H7 N O3 S C(CS(...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3UYW 1.9 Å NON-ENZYME: OTHER CRYSTAL STRUCTURES OF GLOBULAR HEAD OF 2009 PANDEMIC H1N1 HEMAGGLUTININ INFLUENZA A VIRUS INFLUENZA VIRUS SUBUNIT VACCINE HEMAGGLUTININ (HA) VIRAL
Ref.: STRUCTURAL VACCINOLOGY: STRUCTURE-BASED DESIGN OF I A VIRUS HEMAGGLUTININ SUBTYPE-SPECIFIC SUBUNIT VACC PROTEIN CELL V. 2 997 2011
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1610 families.
1 3UYW - TAU C2 H7 N O3 S C(CS(=O)(=....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1331 families.
1 3UYW - TAU C2 H7 N O3 S C(CS(=O)(=....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1144 families.
1 3UYW - TAU C2 H7 N O3 S C(CS(=O)(=....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: TAU; Similar ligands found: 6
No: Ligand ECFP6 Tc MDL keys Tc
1 TAU 1 1
2 A20 0.631579 0.883721
3 8X3 0.5 0.733333
4 COM 0.473684 0.804878
5 9SB 0.473684 0.697674
6 OCS 0.4 0.770833
Similar Ligands (3D)
Ligand no: 1; Ligand: TAU; Similar ligands found: 285
No: Ligand Similarity coefficient
1 P7I 1.0000
2 CHT 1.0000
3 ETM 0.9992
4 VX 0.9989
5 2HE 0.9988
6 POA 0.9988
7 BTL 0.9977
8 FJO 0.9954
9 XPO 0.9953
10 EFS 0.9944
11 OPE 0.9706
12 FCN 0.9631
13 MPD 0.9628
14 HSW 0.9616
15 TB6 0.9611
16 CP 0.9609
17 PAE 0.9604
18 S0H 0.9574
19 SAT 0.9570
20 PGA 0.9558
21 MMQ 0.9544
22 7VD 0.9538
23 TB0 0.9519
24 BAE 0.9514
25 ETF 0.9511
26 VSO 0.9481
27 TAY 0.9480
28 PCT 0.9480
29 FW5 0.9469
30 MLA 0.9469
31 MLI 0.9466
32 PPF 0.9463
33 1AC 0.9458
34 ODV 0.9439
35 1SP 0.9394
36 BU4 0.9390
37 BUA 0.9384
38 BAL 0.9380
39 SGL 0.9358
40 1Y8 0.9348
41 BUB 0.9344
42 HV2 0.9336
43 AAE 0.9323
44 IVA 0.9319
45 SER 0.9318
46 DSS 0.9311
47 BMD 0.9310
48 TAN 0.9310
49 CNH 0.9305
50 3HR 0.9296
51 EGD 0.9290
52 SAR 0.9272
53 SSN 0.9269
54 MTG 0.9244
55 DTL 0.9240
56 3HL 0.9234
57 192 0.9230
58 8FH 0.9224
59 PRO 0.9211
60 AOA 0.9209
61 HLT 0.9208
62 THR 0.9205
63 DMG 0.9202
64 3OH 0.9198
65 BXO 0.9197
66 MLM 0.9189
67 LER 0.9186
68 BUQ 0.9185
69 ABU 0.9174
70 SLP 0.9171
71 IHG 0.9171
72 3PY 0.9162
73 SIN 0.9145
74 MSF 0.9144
75 AKB 0.9141
76 ITU 0.9139
77 DSN 0.9133
78 ALO 0.9132
79 CYS 0.9132
80 KIV 0.9129
81 PAH 0.9122
82 PUT 0.9120
83 LLQ 0.9116
84 MAE 0.9114
85 P2D 0.9111
86 PYR 0.9111
87 2KT 0.9108
88 LEA 0.9104
89 SMB 0.9096
90 3BB 0.9094
91 DXX 0.9087
92 LAC 0.9084
93 PRI 0.9079
94 GG6 0.9072
95 1GP 0.9072
96 MRY 0.9069
97 VAL 0.9068
98 OXL 0.9068
99 OXM 0.9065
100 TFB 0.9060
101 39J 0.9058
102 GOL 0.9054
103 GXV 0.9054
104 ETX 0.9053
105 2OP 0.9052
106 DE2 0.9050
107 C5J 0.9046
108 G3P 0.9038
109 9YL 0.9038
110 XAP 0.9036
111 NVI 0.9029
112 03W 0.9027
113 TFS 0.9025
114 HSE 0.9020
115 NVA 0.9019
116 OXD 0.9011
117 2RA 0.9009
118 ABA 0.9009
119 PPV 0.9009
120 ASP 0.9003
121 IPU 0.9002
122 MZ0 0.9000
123 HBR 0.9000
124 ALA 0.9000
125 DGY 0.8998
126 KG7 0.8993
127 ICN 0.8993
128 HX2 0.8989
129 GLY 0.8986
130 HGY 0.8986
131 FLA 0.8983
132 HDA 0.8980
133 A8C 0.8978
134 DAL 0.8978
135 R3W 0.8976
136 DAB 0.8972
137 ASN 0.8971
138 HIU 0.8962
139 NCM 0.8959
140 PRS 0.8958
141 HCS 0.8958
142 NAK 0.8954
143 MTD 0.8952
144 BVG 0.8951
145 POP 0.8947
146 C2N 0.8947
147 DTU 0.8944
148 HUI 0.8937
149 PPI 0.8937
150 2PC 0.8935
151 X1S 0.8933
152 273 0.8931
153 FMS 0.8927
154 2PN 0.8926
155 3PP 0.8926
156 9X7 0.8925
157 4HA 0.8924
158 PE9 0.8922
159 1DQ 0.8921
160 CXL 0.8920
161 DBB 0.8916
162 1SH 0.8912
163 F3V 0.8910
164 A2Q 0.8907
165 3GR 0.8902
166 DCY 0.8901
167 MDN 0.8899
168 BAQ 0.8898
169 7EX 0.8893
170 H95 0.8892
171 CEJ 0.8890
172 4MV 0.8889
173 BXA 0.8888
174 BVC 0.8888
175 NMG 0.8886
176 FAH 0.8882
177 NIE 0.8882
178 IPH 0.8882
179 A3B 0.8878
180 CIZ 0.8869
181 2IM 0.8869
182 HBS 0.8866
183 ALQ 0.8865
184 JYD 0.8863
185 DPR 0.8857
186 GLV 0.8857
187 FUM 0.8855
188 AKR 0.8854
189 THE 0.8854
190 IQ0 0.8853
191 AML 0.8851
192 LEU 0.8847
193 HSM 0.8845
194 DCL 0.8842
195 ILE 0.8840
196 PIS 0.8839
197 DZZ 0.8838
198 ATQ 0.8837
199 2EZ 0.8826
200 3SS 0.8819
201 ORN 0.8819
202 ATO 0.8815
203 1KA 0.8814
204 T2C 0.8806
205 1DU 0.8803
206 LMR 0.8799
207 GOA 0.8798
208 1BP 0.8798
209 MLT 0.8796
210 TEO 0.8796
211 MEU 0.8781
212 HZP 0.8779
213 6NA 0.8777
214 HVQ 0.8775
215 DAS 0.8770
216 CYH 0.8768
217 1CB 0.8768
218 23W 0.8767
219 4JU 0.8766
220 2MH 0.8766
221 CSS 0.8758
222 GBL 0.8758
223 ITN 0.8757
224 NIS 0.8754
225 HAE 0.8749
226 PXO 0.8748
227 23B 0.8745
228 MMU 0.8744
229 JBN 0.8742
230 BUO 0.8740
231 TZZ 0.8738
232 2RH 0.8738
233 NMU 0.8733
234 AC5 0.8732
235 HAI 0.8731
236 F50 0.8728
237 6SP 0.8727
238 3ZS 0.8724
239 QFH 0.8721
240 TZC 0.8716
241 2HA 0.8716
242 2CO 0.8714
243 PAF 0.8710
244 TNE 0.8709
245 2A3 0.8700
246 OHG 0.8699
247 AHR 0.8697
248 L60 0.8697
249 COI 0.8696
250 IMR 0.8695
251 PYM 0.8694
252 HVB 0.8690
253 OAA 0.8687
254 PYC 0.8684
255 FOA 0.8682
256 E60 0.8682
257 R1X 0.8681
258 9A4 0.8680
259 PCA 0.8672
260 J3K 0.8671
261 9X6 0.8671
262 LDU 0.8670
263 FPI 0.8663
264 CP2 0.8659
265 MZW 0.8657
266 PTO 0.8654
267 ABN 0.8648
268 HPY 0.8648
269 3CL 0.8646
270 DPF 0.8640
271 98J 0.8640
272 9A7 0.8635
273 TF4 0.8632
274 ICF 0.8619
275 HBX 0.8616
276 CRD 0.8615
277 MET 0.8613
278 282 0.8611
279 CMS 0.8610
280 SYN 0.8607
281 BP9 0.8604
282 DMV 0.8591
283 13D 0.8587
284 PEP 0.8559
285 MED 0.8541
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3UYW; Ligand: TAU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 1) in the query (biounit: 3uyw.bio3) has 11 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3UYW; Ligand: TAU; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 2) in the query (biounit: 3uyw.bio1) has 10 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback