Receptor
PDB id Resolution Class Description Source Keywords
3AIQ 1.9 Å EC: 3.2.1.21 CRYSTAL STRUCTURE OF BETA-GLUCOSIDASE IN WHEAT COMPLEXED WIT AGLYCONE DIMBOA TRITICUM AESTIVUM TIM BARREL GLYCOSIDASES HYDROLASE
Ref.: ACTIVE-SITE ARCHITECTURE OF BENZOXAZINONE-GLUCOSIDE BETA-D-GLUCOSIDASES IN TRITICEAE PLANT SCI. V. 180 268 2011
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
HBO A:4134;
Valid;
none;
submit data
211.171 C9 H9 N O5 COc1c...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
3AIQ 1.9 Å EC: 3.2.1.21 CRYSTAL STRUCTURE OF BETA-GLUCOSIDASE IN WHEAT COMPLEXED WIT AGLYCONE DIMBOA TRITICUM AESTIVUM TIM BARREL GLYCOSIDASES HYDROLASE
Ref.: ACTIVE-SITE ARCHITECTURE OF BENZOXAZINONE-GLUCOSIDE BETA-D-GLUCOSIDASES IN TRITICEAE PLANT SCI. V. 180 268 2011
Members (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 25 families.
1 3AIV - HBO C9 H9 N O5 COc1ccc2c(....
2 3AIQ - HBO C9 H9 N O5 COc1ccc2c(....
3 3AIR - DNF C6 H4 N2 O5 c1cc(c(cc1....
4 3AIS - HBK BGC n/a n/a
5 3AIW - DNF C6 H4 N2 O5 c1cc(c(cc1....
70% Homology Family (5)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 3AIV - HBO C9 H9 N O5 COc1ccc2c(....
2 3AIQ - HBO C9 H9 N O5 COc1ccc2c(....
3 3AIR - DNF C6 H4 N2 O5 c1cc(c(cc1....
4 3AIS - HBK BGC n/a n/a
5 3AIW - DNF C6 H4 N2 O5 c1cc(c(cc1....
50% Homology Family (89)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1W9D ic50 = 0.58 mM SEH C10 H13 N O4 S2 CCS/C(=NOS....
2 1W9B ic50 = 0.99 mM CGT C15 H21 N O8 S2 c1ccc(cc1)....
3 1E6Q Ki = 0.7 mM NTZ C6 H10 N4 O4 C([C@@H]1[....
4 1E70 - G2F C6 H11 F O5 C([C@@H]1[....
5 1E71 - ASC C6 H8 O6 C([C@@H]([....
6 2WXD ic50 = 3.3 uM E18 C12 H18 N2 O4 S2 CN(C)CCS/C....
7 1E72 Ki = 0.6 mM GOX C6 H12 N2 O5 C([C@@H]1[....
8 1E6X - LGC C6 H10 O6 C([C@@H]1[....
9 1E73 - ASC C6 H8 O6 C([C@@H]([....
10 1E6S Ki = 0.6 mM GOX C6 H12 N2 O5 C([C@@H]1[....
11 1BGG - GCO C6 H12 O7 C([C@H]([C....
12 6R4K Ki = 51 uM JSK C17 H25 N7 O4 [H]/N=N/NC....
13 1E4I - NFG C12 H13 F N2 O9 c1cc(c(cc1....
14 4EK7 - BGC C6 H12 O6 C([C@@H]1[....
15 3U57 - DH8 C27 H34 N2 O8 C/C=C/1[C@....
16 3U5Y - SCG C17 H24 O10 COC(=O)C1=....
17 5OKK - BGP C6 H13 O9 P C([C@@H]1[....
18 5OKE - BG6 C6 H13 O9 P C([C@@H]1[....
19 5OKR - BG6 C6 H13 O9 P C([C@@H]1[....
20 5OKG - BG6 C6 H13 O9 P C([C@@H]1[....
21 5OKQ - BGP C6 H13 O9 P C([C@@H]1[....
22 5OKS - BG6 C6 H13 O9 P C([C@@H]1[....
23 2ZOX - OLA C18 H34 O2 CCCCCCCCC=....
24 2E9M - OLA C18 H34 O2 CCCCCCCCC=....
25 2E9L - OLA C18 H34 O2 CCCCCCCCC=....
26 3AI0 - PNW C12 H15 N O8 c1cc(ccc1[....
27 4IPN - SGC RTG n/a n/a
28 5N6T - 8P2 C7 H11 N2 O4 C([C@@H]1[....
29 2WBG Ki = 35.2 uM LGS C15 H28 N2 O5 CCCCCCCC/N....
30 2J7H Kd = 65 nM AZF C5 H12 N2 O3 C1[C@H]([C....
31 2J7D Kd = 74 nM GI1 C10 H17 N2 O6 CO[C@@H](c....
32 1W3J Kd = 484 nM OXZ C5 H11 N O4 C1[C@H]([C....
33 2J7C Ki = 10.7 nM IDE C15 H19 N3 O4 c1ccc(cc1)....
34 2J79 Kd = 1.1 uM GTL C6 H12 N2 O5 C([C@@H]1[....
35 2WC3 Ki = 0.83 uM AM3 C15 H28 N2 O5 CCCCCCCC/N....
36 2J75 - NOY C6 H13 N O4 C1[C@@H]([....
37 2VRJ Kd = 0.5 uM NCW C15 H28 N2 O4 S CCCCCCCCNC....
38 2J7F Kd = 445 nM GI3 C9 H13 N2 O6 c1c([nH]c2....
39 2J77 Kd = 12.9 uM NOJ C6 H13 N O4 C1[C@@H]([....
40 5OSS Kd = 28.3 uM AEZ C8 H12 N2 O4 c1[nH]c2c(....
41 1UZ1 Ki = 130 nM IFL C6 H11 N O4 C1[C@@H]([....
42 2CBU Kd = 2.1 uM CTS C8 H15 N O4 C1C[N@]2C[....
43 2J7G Kd = 100 nM GI4 C10 H15 N2 O6 c1c([nH]c2....
44 5N6S - 8P5 C13 H23 N4 O5 C(CCN=[N+]....
45 2WC4 Kd = 5.1 uM AMF C15 H28 N2 O4 S CCCCCCCCN=....
46 2CBV Kd = 3.3 uM CGB C7 H13 N O4 C1C[C@]2([....
47 1OIF Ka = 51450000 M^-1 IFM C6 H13 N O3 C1[C@@H]([....
48 2CES Kd = 56 nM GIM C8 H13 N2 O4 c1c[n+]2c(....
49 2J7E Kd = 48 nM GI2 C11 H17 N2 O6 COC(=O)Cc1....
50 2J78 Kd = 384 nM GOX C6 H12 N2 O5 C([C@@H]1[....
51 1OIM Ka = 210000 M^-1 NOJ C6 H13 N O4 C1[C@@H]([....
52 2CET Kd = 9.6 nM PGI C16 H21 N2 O4 c1ccc(cc1)....
53 2J7B Kd = 240 nM NTZ C6 H10 N4 O4 C([C@@H]1[....
54 4JIE - BMA C6 H12 O6 C([C@@H]1[....
55 3AIV - HBO C9 H9 N O5 COc1ccc2c(....
56 3AIQ - HBO C9 H9 N O5 COc1ccc2c(....
57 3AIR - DNF C6 H4 N2 O5 c1cc(c(cc1....
58 3AIS - HBK BGC n/a n/a
59 3AIW - DNF C6 H4 N2 O5 c1cc(c(cc1....
60 4PTX - BGC C6 H12 O6 C([C@@H]1[....
61 4PTV - SGC BGC n/a n/a
62 3GNP - SOG C14 H28 O5 S CCCCCCCCS[....
63 6RJM - GLC C6 H12 O6 C([C@@H]1[....
64 6RK2 - 6GR C13 H16 O8 c1ccc(c(c1....
65 6RJO - SA0 C13 H18 O7 c1ccc(c(c1....
66 5AYI - BGC C6 H12 O6 C([C@@H]1[....
67 1E56 - BGC HBO n/a n/a
68 1E55 Ki = 76 uM DHR C8 H7 N O2 c1cc(ccc1[....
69 1V08 Ki ~ 1 uM NTZ C6 H10 N4 O4 C([C@@H]1[....
70 1E4N - HBO C9 H9 N O5 COc1ccc2c(....
71 1H49 - HBO BGC n/a n/a
72 5GNX - BGC C6 H12 O6 C([C@@H]1[....
73 5GNY - BGC C6 H12 O6 C([C@@H]1[....
74 5GNZ - BGC C6 H12 O6 C([C@@H]1[....
75 2E40 - LGC C6 H10 O6 C([C@@H]1[....
76 3F5K Ki = 0.024 mM BGC BGC BGC BGC BGC n/a n/a
77 7BZM - GIM C8 H13 N2 O4 c1c[n+]2c(....
78 4QLL Ka = 2400 M^-1 BGC BGC BGC BGC n/a n/a
79 4QLJ - BGC BGC BGC BGC n/a n/a
80 3F5J Ki = 0.052 mM BGC BGC BGC BGC n/a n/a
81 4QLK Ka = 1800 M^-1 BGC BGC BGC BGC n/a n/a
82 3F5L Ki = 0.191 mM BGC BGC n/a n/a
83 3PTQ - NFG C12 H13 F N2 O9 c1cc(c(cc1....
84 4PBG - BGP C6 H13 O9 P C([C@@H]1[....
85 3CMJ - SRT C4 H6 O6 [C@H]([C@H....
86 5YIF - 8VR C9 H14 O8 C[C@]1(OC[....
87 1V03 - BGC CCN IPH n/a n/a
88 2O9T - BGC C6 H12 O6 C([C@@H]1[....
89 2O9R Ki = 21 mM SGC BGC n/a n/a
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: HBO; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 HBO 1 1
2 HBO BGC 0.460526 0.833333
Similar Ligands (3D)
Ligand no: 1; Ligand: HBO; Similar ligands found: 889
No: Ligand Similarity coefficient
1 BGC 1.0000
2 JP2 0.9614
3 V1T 0.9555
4 0XT 0.9517
5 68A 0.9493
6 8W9 0.9478
7 HRM 0.9468
8 15E 0.9463
9 PH2 0.9457
10 30G 0.9429
11 GNM 0.9427
12 BGU 0.9420
13 HHR 0.9418
14 X0U 0.9416
15 CLZ 0.9396
16 1A7 0.9396
17 UFO 0.9394
18 9R5 0.9392
19 2JK 0.9377
20 5TY 0.9375
21 R9Y 0.9370
22 HHS 0.9366
23 7ME 0.9350
24 BPU 0.9320
25 7MX 0.9319
26 92P 0.9318
27 B21 0.9309
28 0JD 0.9303
29 F2W 0.9295
30 E7S 0.9293
31 SQ7 0.9291
32 L22 0.9285
33 KJU 0.9283
34 JYB 0.9283
35 1QP 0.9282
36 S60 0.9281
37 8ZE 0.9279
38 2GQ 0.9279
39 N2I 0.9278
40 344 0.9277
41 2K8 0.9276
42 DRG 0.9274
43 4YO 0.9271
44 ZME 0.9269
45 15N 0.9268
46 ITE 0.9264
47 NAG 0.9255
48 N8Y 0.9253
49 JG8 0.9253
50 HQD 0.9252
51 F5C 0.9251
52 EN1 0.9248
53 4JQ 0.9245
54 5GU 0.9243
55 6QF 0.9242
56 54X 0.9232
57 4MU 0.9232
58 SQ4 0.9227
59 6FB 0.9224
60 ZHA 0.9215
61 8NX 0.9212
62 CH9 0.9212
63 6KT 0.9210
64 C9E 0.9207
65 3QV 0.9206
66 28N 0.9205
67 ANC 0.9204
68 5GV 0.9203
69 9ZE 0.9202
70 9FL 0.9202
71 5VL 0.9200
72 2FQ 0.9199
73 GO2 0.9198
74 TCR 0.9197
75 G12 0.9196
76 JTA 0.9195
77 FDR 0.9195
78 0FK 0.9191
79 FLV 0.9182
80 DQU 0.9178
81 N0Z 0.9178
82 BPY 0.9177
83 0F9 0.9175
84 ESI 0.9172
85 THA 0.9171
86 GJP 0.9171
87 4TU 0.9171
88 E1K 0.9166
89 VXX 0.9165
90 4RU 0.9163
91 J6W 0.9159
92 2WU 0.9159
93 ZYR 0.9157
94 AP4 0.9153
95 E1T 0.9153
96 GNV 0.9152
97 AMR 0.9149
98 CCV 0.9148
99 DPT 0.9147
100 KF5 0.9147
101 N2M 0.9144
102 7I2 0.9143
103 AN3 0.9143
104 X0W 0.9141
105 QIV 0.9141
106 6ME 0.9137
107 8WT 0.9136
108 TGX 0.9135
109 0W1 0.9134
110 AJY 0.9133
111 3J8 0.9129
112 TT4 0.9127
113 KTJ 0.9125
114 3R4 0.9125
115 0N7 0.9124
116 QBS 0.9123
117 0TU 0.9120
118 4V2 0.9117
119 C2Y 0.9116
120 QX4 0.9114
121 B62 0.9114
122 BQ2 0.9113
123 N91 0.9112
124 XCG 0.9112
125 5V7 0.9112
126 KDV 0.9111
127 TIY 0.9111
128 HA5 0.9110
129 MQN 0.9109
130 SRO 0.9107
131 4BY 0.9106
132 IWT 0.9106
133 2FX 0.9106
134 H5B 0.9105
135 MXD 0.9105
136 61M 0.9105
137 AA 0.9098
138 BA5 0.9097
139 DK1 0.9097
140 S98 0.9096
141 URC 0.9095
142 BZJ 0.9095
143 PEY 0.9090
144 8TX 0.9089
145 FF2 0.9087
146 AH9 0.9086
147 ALE 0.9085
148 WUB 0.9083
149 CKA 0.9083
150 ZYQ 0.9082
151 8HC 0.9080
152 1HN 0.9079
153 4KL 0.9079
154 HNT 0.9078
155 PRL 0.9076
156 PJW 0.9075
157 5WT 0.9074
158 K25 0.9072
159 YE7 0.9071
160 FHC 0.9070
161 LDR 0.9070
162 1QV 0.9069
163 XDE 0.9069
164 1KP 0.9066
165 LL1 0.9066
166 BZE 0.9064
167 ANF 0.9063
168 ESX 0.9063
169 8G6 0.9062
170 KUF 0.9062
171 A5H 0.9062
172 BIK 0.9061
173 9FE 0.9061
174 5GT 0.9060
175 8XL 0.9059
176 H4B 0.9058
177 APS 0.9058
178 3VX 0.9055
179 GNY 0.9054
180 DX3 0.9053
181 6FZ 0.9053
182 XM5 0.9053
183 TMG 0.9052
184 3Z8 0.9052
185 27B 0.9052
186 2LY 0.9050
187 GHM 0.9048
188 AY4 0.9048
189 6X9 0.9048
190 3Y7 0.9048
191 CFF 0.9047
192 K37 0.9047
193 6ZW 0.9047
194 X48 0.9047
195 0HO 0.9046
196 GLC 0.9046
197 KLV 0.9045
198 J9Q 0.9043
199 0HN 0.9043
200 9AP 0.9043
201 A7H 0.9042
202 YE6 0.9042
203 PRF 0.9041
204 0FO 0.9040
205 39O 0.9040
206 DXK 0.9039
207 44V 0.9039
208 1Z6 0.9038
209 2HQ 0.9038
210 CK2 0.9037
211 1F1 0.9037
212 ONR 0.9036
213 ROI 0.9036
214 X11 0.9036
215 9CA 0.9035
216 K68 0.9035
217 774 0.9035
218 MSR 0.9034
219 DEE 0.9032
220 55D 0.9032
221 5RO 0.9031
222 BZ2 0.9030
223 HQJ 0.9029
224 N7I 0.9029
225 KMY 0.9029
226 FCD 0.9029
227 44W 0.9028
228 3ZB 0.9028
229 JR2 0.9027
230 R20 0.9027
231 MRW 0.9025
232 DIN 0.9024
233 XIY 0.9024
234 9UL 0.9022
235 4I8 0.9019
236 Y3L 0.9019
237 GF4 0.9019
238 NDG 0.9018
239 K3Q 0.9015
240 1M2 0.9015
241 JND 0.9013
242 A7W 0.9012
243 PMP 0.9011
244 5QY 0.9011
245 ARP 0.9010
246 NBG 0.9010
247 3TC 0.9010
248 W81 0.9009
249 I4D 0.9008
250 F40 0.9008
251 UNJ 0.9007
252 226 0.9007
253 CR1 0.9006
254 0P6 0.9006
255 SJK 0.9005
256 9OF 0.9003
257 94W 0.9002
258 6NT 0.9002
259 F4E 0.9001
260 GAL 0.9001
261 3PF 0.9001
262 209 0.9001
263 KTW 0.9000
264 L5V 0.8999
265 2BG 0.8998
266 FQX 0.8998
267 AZ9 0.8998
268 2ZM 0.8997
269 6VD 0.8995
270 XHP 0.8995
271 JF2 0.8994
272 363 0.8994
273 12T 0.8994
274 4VY 0.8993
275 4ME 0.8993
276 0FR 0.8993
277 0SY 0.8992
278 TSS 0.8990
279 D3G 0.8990
280 1IT 0.8988
281 GDE 0.8987
282 BDP 0.8985
283 HNK 0.8983
284 HNL 0.8983
285 6NI 0.8983
286 N1E 0.8982
287 MD6 0.8976
288 K7H 0.8975
289 B0K 0.8975
290 EMZ 0.8974
291 TXW 0.8974
292 IPD 0.8973
293 FER 0.8973
294 QMS 0.8972
295 FUD 0.8972
296 ZSP 0.8971
297 4R1 0.8970
298 CSN 0.8969
299 EXD 0.8967
300 Z5P 0.8967
301 S0E 0.8967
302 K44 0.8966
303 3R6 0.8966
304 P4L 0.8966
305 8NB 0.8966
306 XFE 0.8964
307 CPZ 0.8964
308 A29 0.8963
309 GI3 0.8961
310 APZ 0.8960
311 7WR 0.8960
312 BG6 0.8958
313 G6P 0.8958
314 CIY 0.8958
315 LDP 0.8957
316 537 0.8957
317 20J 0.8957
318 28S 0.8956
319 BIO 0.8956
320 5OB 0.8956
321 PQ0 0.8956
322 GVG 0.8955
323 6RQ 0.8955
324 MUX 0.8955
325 2KA 0.8955
326 LDC 0.8955
327 3NY 0.8954
328 DUR 0.8953
329 IOP 0.8953
330 BP7 0.8952
331 E3X 0.8951
332 HHH 0.8950
333 CWS 0.8950
334 5OF 0.8950
335 K97 0.8949
336 JGB 0.8948
337 X0T 0.8948
338 B56 0.8948
339 BGP 0.8946
340 IOS 0.8946
341 1VK 0.8945
342 0FN 0.8945
343 MVN 0.8945
344 428 0.8945
345 YO5 0.8944
346 DNF 0.8944
347 6TZ 0.8944
348 DHC 0.8943
349 PLP 0.8941
350 D48 0.8941
351 TTL 0.8940
352 JCZ 0.8939
353 HX4 0.8937
354 ZRK 0.8937
355 2O6 0.8936
356 WS7 0.8936
357 6HP 0.8936
358 7VP 0.8933
359 KT7 0.8933
360 TRP 0.8933
361 8WO 0.8932
362 P83 0.8931
363 H33 0.8930
364 F6P 0.8930
365 TOF 0.8929
366 BK9 0.8926
367 CNI 0.8925
368 EGR 0.8924
369 8IG 0.8924
370 LTT 0.8923
371 CWJ 0.8923
372 MS9 0.8920
373 GI1 0.8920
374 M1Z 0.8920
375 ABI 0.8920
376 CXH 0.8919
377 TYR 0.8916
378 IL5 0.8915
379 ESP 0.8914
380 BDI 0.8913
381 OQC 0.8913
382 3A9 0.8913
383 PPY 0.8911
384 6E8 0.8910
385 D2G 0.8910
386 SKF 0.8908
387 D8Q 0.8905
388 2QC 0.8905
389 4V6 0.8904
390 9CE 0.8903
391 SG2 0.8902
392 BZ3 0.8902
393 4BL 0.8900
394 JF1 0.8900
395 B5D 0.8899
396 8MO 0.8899
397 GO8 0.8898
398 2CZ 0.8897
399 M78 0.8896
400 86J 0.8896
401 SYV 0.8895
402 5QX 0.8895
403 GCS 0.8894
404 GLP 0.8894
405 5XC 0.8893
406 4XF 0.8891
407 H4E 0.8891
408 LT2 0.8891
409 M1Q 0.8890
410 G3E 0.8890
411 AJV 0.8890
412 L99 0.8890
413 XDK 0.8889
414 H2B 0.8886
415 INE 0.8886
416 OTW 0.8885
417 JB8 0.8884
418 DT7 0.8884
419 J5I 0.8883
420 36Y 0.8883
421 AX3 0.8883
422 SNU 0.8882
423 7B3 0.8880
424 B55 0.8880
425 9KT 0.8879
426 M5H 0.8878
427 JAW 0.8878
428 WSD 0.8878
429 SNO 0.8877
430 F31 0.8875
431 M4E 0.8875
432 B4O 0.8873
433 ZZZ 0.8872
434 KW8 0.8870
435 GSY 0.8869
436 I6G 0.8867
437 OSB 0.8867
438 DEW 0.8866
439 SKM 0.8865
440 TWO 0.8865
441 BNL 0.8865
442 SE2 0.8864
443 GNJ 0.8864
444 Q71 0.8863
445 26C 0.8863
446 PUE 0.8862
447 Q77 0.8862
448 CHQ 0.8862
449 OCH 0.8861
450 OA3 0.8861
451 97T 0.8860
452 DNA 0.8859
453 GZ2 0.8858
454 ZEC 0.8858
455 MPV 0.8858
456 GZ8 0.8857
457 LP8 0.8855
458 5LA 0.8854
459 795 0.8854
460 ENO 0.8854
461 CX6 0.8854
462 EV3 0.8853
463 Q24 0.8853
464 3VS 0.8853
465 PNZ 0.8852
466 H42 0.8852
467 HBI 0.8851
468 BEA 0.8851
469 COU 0.8851
470 J38 0.8850
471 A5E 0.8849
472 CTN 0.8848
473 SXS 0.8845
474 4AA 0.8845
475 E7R 0.8843
476 ICO 0.8843
477 9KZ 0.8842
478 4HC 0.8842
479 LI6 0.8841
480 75K 0.8840
481 2LW 0.8839
482 GDL 0.8839
483 URI 0.8838
484 TYL 0.8837
485 LNR 0.8836
486 DHK 0.8835
487 QAT 0.8835
488 GZV 0.8832
489 G1P 0.8832
490 KLK 0.8832
491 0NX 0.8832
492 JY4 0.8831
493 5WS 0.8831
494 7FF 0.8830
495 G14 0.8830
496 N3W 0.8827
497 4FS 0.8827
498 2AQ 0.8827
499 VM1 0.8826
500 RNO 0.8826
501 5VJ 0.8826
502 BBK 0.8825
503 ES5 0.8825
504 8CM 0.8825
505 YTX 0.8825
506 GC2 0.8824
507 L07 0.8824
508 2HU 0.8823
509 22L 0.8823
510 ETV 0.8822
511 7AP 0.8822
512 H7Y 0.8821
513 AC2 0.8821
514 78Y 0.8821
515 ICB 0.8820
516 GM7 0.8820
517 PXL 0.8819
518 G3F 0.8819
519 JDN 0.8819
520 7MK 0.8817
521 SLS 0.8817
522 EUE 0.8815
523 DDU 0.8814
524 12Q 0.8814
525 IAC 0.8814
526 HQT 0.8812
527 4AB 0.8812
528 1P8 0.8811
529 PH3 0.8811
530 3VQ 0.8810
531 52F 0.8809
532 03V 0.8808
533 IV2 0.8807
534 1L5 0.8805
535 SHA 0.8805
536 KJH 0.8805
537 BHS 0.8805
538 C53 0.8805
539 MOK 0.8805
540 TIA 0.8803
541 5NS 0.8803
542 1X8 0.8803
543 GVY 0.8803
544 GRX 0.8802
545 5NI 0.8802
546 I3E 0.8801
547 RD4 0.8801
548 7W1 0.8800
549 A2G 0.8799
550 RSV 0.8796
551 HRD 0.8796
552 M02 0.8795
553 JTH 0.8794
554 SYA 0.8793
555 1DR 0.8793
556 EVF 0.8793
557 ES2 0.8793
558 A7N 0.8793
559 DAH 0.8792
560 LOT 0.8791
561 6Q3 0.8790
562 ZZA 0.8790
563 5SJ 0.8789
564 2J2 0.8789
565 I3A 0.8788
566 UAN 0.8787
567 PHE 0.8786
568 549 0.8786
569 VK3 0.8785
570 NGA 0.8784
571 BVA 0.8783
572 I2E 0.8782
573 V2Z 0.8782
574 AJG 0.8782
575 5RN 0.8781
576 DPZ 0.8780
577 5JL 0.8780
578 39Z 0.8779
579 WLH 0.8779
580 PTS 0.8778
581 SYR 0.8778
582 9NB 0.8778
583 AH3 0.8777
584 LGC 0.8777
585 7L4 0.8777
586 PZP 0.8776
587 PLP PMP 0.8776
588 36M 0.8776
589 PQT 0.8775
590 NDH 0.8774
591 N4E 0.8773
592 P7Y 0.8772
593 NCT 0.8772
594 C9M 0.8771
595 KYA 0.8771
596 L15 0.8771
597 YZ9 0.8771
598 J9T 0.8770
599 ANN 0.8770
600 39U 0.8770
601 4FE 0.8770
602 XAZ 0.8770
603 KYN 0.8770
604 JBZ 0.8770
605 F4K 0.8768
606 4HB 0.8768
607 MFZ 0.8767
608 EE8 0.8766
609 IQ5 0.8765
610 JB5 0.8765
611 FC2 0.8765
612 2JX 0.8765
613 5E5 0.8765
614 4LW 0.8765
615 GJK 0.8763
616 2J1 0.8762
617 NLA 0.8761
618 LZ2 0.8761
619 5XL 0.8761
620 7ZL 0.8761
621 2AK 0.8759
622 9BF 0.8758
623 NRA 0.8758
624 NQH 0.8757
625 K22 0.8757
626 P80 0.8755
627 M3E 0.8755
628 JU2 0.8754
629 GCB 0.8753
630 1XA 0.8751
631 AQO 0.8750
632 QBK 0.8749
633 LIP 0.8749
634 SNY 0.8749
635 SKA 0.8748
636 M6P 0.8746
637 MWP 0.8746
638 0BP 0.8746
639 JF8 0.8744
640 8S0 0.8744
641 OCZ 0.8744
642 FBB 0.8743
643 67X 0.8743
644 MUA 0.8742
645 P9E 0.8741
646 EWG 0.8741
647 VNL 0.8740
648 AJ2 0.8740
649 B2E 0.8738
650 57O 0.8737
651 069 0.8737
652 6DP 0.8737
653 EV2 0.8736
654 NBV 0.8736
655 DNQ 0.8735
656 GCO 0.8735
657 2B4 0.8734
658 ALR 0.8734
659 CKU 0.8733
660 QMR 0.8733
661 4NO 0.8733
662 OMD 0.8731
663 M5K 0.8730
664 PE0 0.8730
665 D9Z 0.8729
666 L46 0.8728
667 HNH 0.8728
668 RKV 0.8727
669 L03 0.8727
670 1P7 0.8727
671 JY2 0.8725
672 SWX 0.8725
673 B23 0.8724
674 4JT 0.8724
675 K2T 0.8723
676 9X5 0.8722
677 LJ3 0.8722
678 ADN 0.8720
679 ODK 0.8719
680 SWA 0.8719
681 IBM 0.8717
682 3N0 0.8717
683 NGO 0.8717
684 QAS 0.8717
685 86L 0.8716
686 GCU 0.8716
687 0J5 0.8715
688 HKD 0.8714
689 ZIP 0.8714
690 M6N 0.8712
691 GI4 0.8710
692 6BL 0.8710
693 II4 0.8710
694 5WY 0.8710
695 GZL 0.8709
696 ONZ 0.8709
697 ET0 0.8708
698 MUK 0.8707
699 XQK 0.8707
700 NVU 0.8707
701 8VR 0.8706
702 NDD 0.8705
703 64F 0.8705
704 SXX 0.8705
705 KG1 0.8704
706 CTL 0.8704
707 FA0 0.8704
708 RVE 0.8703
709 FMQ 0.8703
710 MEW 0.8702
711 A6W 0.8700
712 JXW 0.8700
713 ASC 0.8700
714 HNM 0.8700
715 8U3 0.8699
716 IQZ 0.8699
717 2HC 0.8698
718 R8V 0.8696
719 ODO 0.8695
720 R2P 0.8695
721 FZM 0.8695
722 MAQ 0.8693
723 5F8 0.8693
724 BHA 0.8693
725 F9Y 0.8693
726 4AU 0.8692
727 4NS 0.8690
728 AZ8 0.8690
729 2UD 0.8690
730 4XV 0.8686
731 3XR 0.8685
732 5JQ 0.8685
733 DOB 0.8683
734 CUH 0.8682
735 TTY 0.8682
736 EVA 0.8681
737 AZM 0.8681
738 LEL 0.8681
739 56D 0.8680
740 4M0 0.8679
741 9TF 0.8678
742 1AJ 0.8678
743 6P3 0.8677
744 1AL 0.8677
745 7FU 0.8677
746 MAJ 0.8675
747 52C 0.8673
748 CTS 0.8673
749 8GK 0.8673
750 BNX 0.8673
751 X04 0.8673
752 3D8 0.8671
753 Q88 0.8670
754 LUM 0.8670
755 TZF 0.8669
756 X8D 0.8669
757 4Z4 0.8668
758 2LT 0.8668
759 1WC 0.8667
760 7ZE 0.8667
761 6L6 0.8666
762 1FE 0.8666
763 173 0.8666
764 SOR 0.8665
765 HA6 0.8665
766 6SD 0.8665
767 UQ1 0.8664
768 JXK 0.8664
769 FWD 0.8664
770 XRX 0.8664
771 GTR 0.8664
772 50C 0.8663
773 2D2 0.8662
774 RH1 0.8661
775 EA1 0.8660
776 VGD 0.8655
777 4NP 0.8654
778 Q9T 0.8654
779 CFA 0.8653
780 E0O 0.8653
781 BTY 0.8650
782 K4V 0.8650
783 7MW 0.8649
784 KIF 0.8649
785 OW7 0.8649
786 AMQ 0.8647
787 AEH 0.8646
788 WS6 0.8642
789 DHY 0.8640
790 BTM 0.8639
791 EV0 0.8638
792 ST3 0.8638
793 5OO 0.8636
794 54Z 0.8635
795 RDT 0.8635
796 PRZ 0.8632
797 MR1 0.8632
798 36E 0.8632
799 MUR 0.8632
800 259 0.8631
801 RXA 0.8630
802 CTE 0.8627
803 PBA 0.8627
804 3TJ 0.8626
805 JYT 0.8626
806 MS0 0.8625
807 A5P 0.8625
808 80G 0.8625
809 5VM 0.8620
810 ET2 0.8618
811 HPT 0.8618
812 DBX 0.8618
813 NPL 0.8616
814 4MB 0.8616
815 RM1 0.8615
816 RUY 0.8614
817 CLW 0.8614
818 5WV 0.8614
819 5F5 0.8613
820 HC4 0.8612
821 NQ 0.8610
822 0OK 0.8607
823 0W8 0.8607
824 5P3 0.8606
825 THM 0.8606
826 149 0.8605
827 4NM 0.8602
828 7O4 0.8601
829 LR2 0.8601
830 5RP 0.8599
831 2F6 0.8597
832 E7Z 0.8597
833 3N1 0.8595
834 HA7 0.8593
835 TZM 0.8592
836 492 0.8592
837 833 0.8592
838 BY5 0.8591
839 L13 0.8590
840 STT 0.8589
841 GF1 0.8589
842 LAH 0.8588
843 EY2 0.8587
844 M4S 0.8587
845 ABF 0.8583
846 JA8 0.8578
847 36R 0.8577
848 6TJ 0.8577
849 EQU 0.8575
850 P84 0.8572
851 MMS 0.8571
852 NID 0.8570
853 6R8 0.8570
854 BHQ 0.8568
855 582 0.8568
856 PQK 0.8568
857 5B2 0.8568
858 SLC 0.8565
859 4B0 0.8565
860 CWD 0.8563
861 GVI 0.8563
862 MTS 0.8561
863 WV7 0.8560
864 27K 0.8560
865 CWM 0.8560
866 F02 0.8558
867 5AD 0.8556
868 JAH 0.8556
869 P81 0.8554
870 ADA 0.8554
871 KJ5 0.8553
872 LTN 0.8553
873 HH6 0.8552
874 7MU 0.8551
875 PYQ 0.8549
876 MFR 0.8547
877 HDH 0.8545
878 BWD 0.8545
879 X05 0.8544
880 IWD 0.8539
881 9FG 0.8535
882 1ZC 0.8532
883 HIS 0.8531
884 PX7 0.8528
885 42J 0.8525
886 LR8 0.8522
887 535 0.8515
888 LO1 0.8513
889 ST1 0.8512
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 3AIQ; Ligand: HBO; 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: 3aiq.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 3AIQ; Ligand: HBO; 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: 3aiq.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 3AIQ; Ligand: HBO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 3) in the query (biounit: 3aiq.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 3AIQ; Ligand: HBO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 4) in the query (biounit: 3aiq.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 5; Query (leader) PDB : 3AIQ; Ligand: HBO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 5) in the query (biounit: 3aiq.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 6; Query (leader) PDB : 3AIQ; Ligand: HBO; Similar sites found with APoc: No similar binding sites found, or similarity not calculated due to duplicate pocket.
This union binding pocket(no: 6) in the query (biounit: 3aiq.bio1) has 15 residues
No: Leader PDB Ligand Sequence Similarity
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