Receptor
PDB id Resolution Class Description Source Keywords
2WZH 2.2 Å EC: 3.2.1.52 BTGH84 D242N IN COMPLEX WITH MEUMB-DERIVED OXAZOLINE BACTEROIDES THETAIOTAOMICRON VPI-5482 GLYCOSIDE HYDROLASE HYDROLASE INHIBITOR GLYCOSIDASE
Ref.: VISUALIZING THE REACTION COORDINATE OF AN O-GLCNAC HYDROLASE J.AM.CHEM.SOC. V. 132 1807 2010
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
CA A:1591;
Part of Protein;
none;
submit data
40.078 Ca [Ca+2...
GOL A:1590;
Invalid;
none;
submit data
92.094 C3 H8 O3 C(C(C...
NGO A:1589;
Valid;
none;
submit data
204.2 C8 H14 N O5 CC1=[...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
5ABH 1.95 Å EC: 3.2.1.52 STRUCTURE OF GH84 WITH LIGAND BACTEROIDES THETAIOTAOMICRON HYDROLASE TIM-BARREL INHIBITOR
Ref.: A CONVENIENT APPROACH TO STEREOISOMERIC IMINOCYCLIT GENERATION OF POTENT BRAIN-PERMEABLE OGA INHIBITORS ANGEW.CHEM.INT.ED.ENGL. V. 54 15429 2015
Members (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 22 families.
1 2XJ7 Kd = 246 nM GC2 C10 H18 N2 O4 CC(=O)N[C@....
2 2WZH - NGO C8 H14 N O5 CC1=[NH+][....
3 4AIU - GC3 C8 H13 N O6 C([C@@H]1[....
4 2VVS Ki = 46 nM OAN C15 H19 N3 O7 CC(=O)N[C@....
5 2W66 Ki = 89 uM HQ6 C9 H18 N2 O5 CC(=O)N[C@....
6 2X0H - 14T C14 H15 F4 N O6 c1cc(c(cc1....
7 5ABG Ki = 9 nM V0N C17 H25 F N2 O4 CNC(=O)C[C....
8 4AIS - GOA C2 H4 O3 C(C(=O)O)O
9 2XM1 Kd = 8.5 uM LTM C8 H14 N2 O5 CC(=O)N[C@....
10 2W4X Kd = 14 uM STZ C8 H15 N3 O7 CN(C(=O)N[....
11 4UR9 Kd = 3.1 mM BK9 C10 H10 N2 O CCOc1c2ccc....
12 2WCA - NP6 C17 H23 N3 O7 CCCC(=O)N[....
13 2VVN - NHT C9 H16 N2 O4 S CCNC1=N[C@....
14 5ABE Ki = 890 uM XQO C13 H26 N2 O4 CCCCCN1[C@....
15 2J4G Ki = 0.25 uM NB1 C10 H17 N O4 S CCCC1=N[C@....
16 5MI7 - OAN C15 H19 N3 O7 CC(=O)N[C@....
17 5MI5 - OAN C15 H19 N3 O7 CC(=O)N[C@....
18 2WZI - 5FN C8 H12 F N O5 CC1=N[C@@H....
19 2JIW - BEU C9 H16 N2 O4 CC(=O)N[C@....
20 2W67 Ki = 11 uM F34 C8 H16 N2 O4 CC(=O)N[C@....
21 5ABH Ki = 1.7 nM YWN C13 H26 N2 O4 CCCCCN1[C@....
22 2XM2 Ki = 24 uM LOG C8 H14 N2 O6 CC(=O)N[C@....
23 5MI6 - NHT C9 H16 N2 O4 S CCNC1=N[C@....
24 2J47 Ki = 3.9 uM GDV C17 H21 N4 O5 CC(=O)N[C@....
70% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 21 families.
1 2XJ7 Kd = 246 nM GC2 C10 H18 N2 O4 CC(=O)N[C@....
2 2WZH - NGO C8 H14 N O5 CC1=[NH+][....
3 4AIU - GC3 C8 H13 N O6 C([C@@H]1[....
4 2VVS Ki = 46 nM OAN C15 H19 N3 O7 CC(=O)N[C@....
5 2W66 Ki = 89 uM HQ6 C9 H18 N2 O5 CC(=O)N[C@....
6 2X0H - 14T C14 H15 F4 N O6 c1cc(c(cc1....
7 5ABG Ki = 9 nM V0N C17 H25 F N2 O4 CNC(=O)C[C....
8 4AIS - GOA C2 H4 O3 C(C(=O)O)O
9 2XM1 Kd = 8.5 uM LTM C8 H14 N2 O5 CC(=O)N[C@....
10 2W4X Kd = 14 uM STZ C8 H15 N3 O7 CN(C(=O)N[....
11 4UR9 Kd = 3.1 mM BK9 C10 H10 N2 O CCOc1c2ccc....
12 2WCA - NP6 C17 H23 N3 O7 CCCC(=O)N[....
13 2VVN - NHT C9 H16 N2 O4 S CCNC1=N[C@....
14 5ABE Ki = 890 uM XQO C13 H26 N2 O4 CCCCCN1[C@....
15 2J4G Ki = 0.25 uM NB1 C10 H17 N O4 S CCCC1=N[C@....
16 5MI7 - OAN C15 H19 N3 O7 CC(=O)N[C@....
17 5MI5 - OAN C15 H19 N3 O7 CC(=O)N[C@....
18 2WZI - 5FN C8 H12 F N O5 CC1=N[C@@H....
19 2JIW - BEU C9 H16 N2 O4 CC(=O)N[C@....
20 2W67 Ki = 11 uM F34 C8 H16 N2 O4 CC(=O)N[C@....
21 5ABH Ki = 1.7 nM YWN C13 H26 N2 O4 CCCCCN1[C@....
22 2XM2 Ki = 24 uM LOG C8 H14 N2 O6 CC(=O)N[C@....
23 5MI6 - NHT C9 H16 N2 O4 S CCNC1=N[C@....
24 2J47 Ki = 3.9 uM GDV C17 H21 N4 O5 CC(=O)N[C@....
50% Homology Family (24)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 16 families.
1 2XJ7 Kd = 246 nM GC2 C10 H18 N2 O4 CC(=O)N[C@....
2 2WZH - NGO C8 H14 N O5 CC1=[NH+][....
3 4AIU - GC3 C8 H13 N O6 C([C@@H]1[....
4 2VVS Ki = 46 nM OAN C15 H19 N3 O7 CC(=O)N[C@....
5 2W66 Ki = 89 uM HQ6 C9 H18 N2 O5 CC(=O)N[C@....
6 2X0H - 14T C14 H15 F4 N O6 c1cc(c(cc1....
7 5ABG Ki = 9 nM V0N C17 H25 F N2 O4 CNC(=O)C[C....
8 4AIS - GOA C2 H4 O3 C(C(=O)O)O
9 2XM1 Kd = 8.5 uM LTM C8 H14 N2 O5 CC(=O)N[C@....
10 2W4X Kd = 14 uM STZ C8 H15 N3 O7 CN(C(=O)N[....
11 4UR9 Kd = 3.1 mM BK9 C10 H10 N2 O CCOc1c2ccc....
12 2WCA - NP6 C17 H23 N3 O7 CCCC(=O)N[....
13 2VVN - NHT C9 H16 N2 O4 S CCNC1=N[C@....
14 5ABE Ki = 890 uM XQO C13 H26 N2 O4 CCCCCN1[C@....
15 2J4G Ki = 0.25 uM NB1 C10 H17 N O4 S CCCC1=N[C@....
16 5MI7 - OAN C15 H19 N3 O7 CC(=O)N[C@....
17 5MI5 - OAN C15 H19 N3 O7 CC(=O)N[C@....
18 2WZI - 5FN C8 H12 F N O5 CC1=N[C@@H....
19 2JIW - BEU C9 H16 N2 O4 CC(=O)N[C@....
20 2W67 Ki = 11 uM F34 C8 H16 N2 O4 CC(=O)N[C@....
21 5ABH Ki = 1.7 nM YWN C13 H26 N2 O4 CCCCCN1[C@....
22 2XM2 Ki = 24 uM LOG C8 H14 N2 O6 CC(=O)N[C@....
23 5MI6 - NHT C9 H16 N2 O4 S CCNC1=N[C@....
24 2J47 Ki = 3.9 uM GDV C17 H21 N4 O5 CC(=O)N[C@....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: NGO; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 NGO 1 1
Similar Ligands (3D)
Ligand no: 1; Ligand: NGO; Similar ligands found: 842
No: Ligand Similarity coefficient
1 NGT 0.9925
2 NGW 0.9861
3 GC3 0.9762
4 5FN 0.9712
5 TNX 0.9692
6 NSG 0.9502
7 GNL 0.9452
8 3MG 0.9429
9 VNL 0.9400
10 VXX 0.9389
11 CTS 0.9388
12 NAG 0.9378
13 HQD 0.9372
14 LTM 0.9359
15 DNC 0.9357
16 AMG 0.9353
17 XQK 0.9344
18 NHT 0.9340
19 FLV 0.9330
20 X09 0.9323
21 V55 0.9322
22 URC 0.9322
23 MBG 0.9304
24 GDL 0.9291
25 M0Q 0.9290
26 0F9 0.9289
27 GLC 0.9287
28 7VS 0.9277
29 3CU 0.9268
30 XX3 0.9262
31 BDP 0.9260
32 BGC 0.9258
33 NOK 0.9254
34 NDG 0.9248
35 NOJ 0.9240
36 I6G 0.9239
37 6VD 0.9237
38 QSH 0.9236
39 F0J 0.9235
40 8TX 0.9230
41 TVP 0.9226
42 329 0.9225
43 1X7 0.9215
44 2FY 0.9208
45 LSA 0.9204
46 GDE 0.9204
47 2H5 0.9195
48 7WR 0.9191
49 K3Q 0.9190
50 KIB 0.9190
51 NB1 0.9188
52 M0W 0.9187
53 GAL 0.9179
54 0N7 0.9177
55 MS9 0.9176
56 ASO 0.9175
57 LGC 0.9171
58 BK9 0.9162
59 X0W 0.9161
60 QIC 0.9160
61 SYR 0.9160
62 X05 0.9160
63 ONR 0.9157
64 4ME 0.9152
65 GT0 0.9151
66 OMD 0.9151
67 G1P 0.9150
68 TWO 0.9149
69 EUG 0.9148
70 KW8 0.9147
71 2ZQ 0.9147
72 SOE 0.9145
73 HLZ 0.9145
74 2C2 0.9140
75 GLA 0.9138
76 Q88 0.9136
77 QSB 0.9135
78 DNF 0.9133
79 UFV 0.9132
80 4XV 0.9132
81 YIO 0.9132
82 DBJ 0.9131
83 0W8 0.9130
84 JVN 0.9130
85 G2F 0.9129
86 NHG 0.9125
87 IFG 0.9125
88 AZ9 0.9125
89 UAN 0.9117
90 GCS 0.9114
91 4XS 0.9111
92 P9P 0.9110
93 GTR 0.9110
94 9KH 0.9110
95 MMA 0.9107
96 4HM 0.9107
97 5JQ 0.9101
98 GYP 0.9100
99 IHB 0.9100
100 NTM 0.9099
101 BCU 0.9098
102 GLG 0.9093
103 ASC 0.9093
104 G3F 0.9088
105 FXH 0.9086
106 8XQ 0.9084
107 149 0.9082
108 2D3 0.9082
109 R1P 0.9079
110 SRO 0.9078
111 2JK 0.9078
112 UFO 0.9077
113 75K 0.9076
114 4HC 0.9076
115 CHB 0.9076
116 FRU 0.9075
117 AKH 0.9074
118 PA1 0.9074
119 FX1 0.9074
120 7MK 0.9073
121 Z5P 0.9071
122 F34 0.9063
123 1GN 0.9062
124 7ZE 0.9060
125 Q6T 0.9059
126 091 0.9059
127 B55 0.9058
128 CKU 0.9057
129 CIP 0.9057
130 GTQ 0.9057
131 K32 0.9056
132 5GU 0.9055
133 BDF 0.9054
134 M1H 0.9054
135 H7Y 0.9053
136 7VJ 0.9053
137 GOX 0.9053
138 C2U 0.9053
139 M1E 0.9052
140 SKM 0.9051
141 5NU 0.9049
142 TEP 0.9049
143 RM1 0.9048
144 XAZ 0.9047
145 5JL 0.9045
146 3MB 0.9044
147 5RG 0.9043
148 APZ 0.9042
149 NLA 0.9041
150 J9W 0.9038
151 54G 0.9037
152 DHK 0.9037
153 FA0 0.9036
154 5MK 0.9034
155 MO8 0.9033
156 7ME 0.9033
157 3IT 0.9032
158 I3A 0.9032
159 5WX 0.9032
160 4RW 0.9031
161 5RO 0.9030
162 XAN 0.9029
163 MT5 0.9027
164 MYJ 0.9026
165 F31 0.9024
166 SWA 0.9023
167 GC2 0.9021
168 LCN 0.9019
169 M1Q 0.9017
170 GUN 0.9016
171 1LQ 0.9016
172 9TW 0.9014
173 RPQ 0.9014
174 SHG 0.9013
175 0P6 0.9013
176 93K 0.9013
177 EPR 0.9011
178 PRZ 0.9011
179 GCU 0.9010
180 IFL 0.9009
181 FE DB1 0.9009
182 G4D 0.9008
183 HQJ 0.9007
184 4TU 0.9007
185 9R5 0.9007
186 LOG 0.9007
187 M5K 0.9006
188 7B3 0.9006
189 FA3 0.9006
190 GXL 0.9005
191 PDC 0.9003
192 4AV 0.9003
193 4NC 0.9002
194 DIU 0.9002
195 KJU 0.9001
196 OA3 0.9001
197 0XT 0.9000
198 EOL 0.9000
199 5M0 0.8999
200 BTY 0.8998
201 PXL 0.8998
202 2FG 0.8998
203 4AA 0.8998
204 DMJ 0.8996
205 SXS 0.8995
206 8WT 0.8993
207 QX4 0.8992
208 5WU 0.8992
209 INE 0.8991
210 MWP 0.8991
211 D07 0.8990
212 7FF 0.8990
213 209 0.8990
214 KBG 0.8989
215 1KP 0.8989
216 9MG 0.8988
217 VK3 0.8987
218 ORO 0.8987
219 A7W 0.8986
220 FHN 0.8986
221 GIV 0.8985
222 8GK 0.8984
223 BEU 0.8984
224 57O 0.8984
225 NTZ 0.8984
226 K17 0.8984
227 5CU 0.8983
228 GFP 0.8983
229 DHB 0.8981
230 948 0.8980
231 9PY 0.8980
232 92P 0.8980
233 BHA 0.8979
234 DQU 0.8979
235 9DG 0.8979
236 CN0 0.8979
237 7D2 0.8978
238 NOY 0.8977
239 CKA 0.8975
240 B57 0.8975
241 39U 0.8975
242 QBK 0.8975
243 GLO 0.8973
244 MNM 0.8973
245 4KL 0.8972
246 5QX 0.8972
247 R9Y 0.8972
248 VOH 0.8971
249 GJS 0.8970
250 JR2 0.8968
251 NDM 0.8968
252 PE0 0.8967
253 97T 0.8966
254 DIN 0.8966
255 WOO 0.8965
256 KFH 0.8965
257 293 0.8964
258 ZZZ 0.8964
259 6ME 0.8964
260 JV4 0.8963
261 AZ8 0.8962
262 FDK 0.8962
263 7HQ 0.8962
264 GM7 0.8961
265 IPB 0.8961
266 EMZ 0.8961
267 FOT 0.8960
268 QWW 0.8958
269 DOB 0.8958
270 YSO 0.8958
271 ZB1 0.8957
272 Q24 0.8957
273 KIA 0.8957
274 327 0.8956
275 42C 0.8956
276 DEW 0.8955
277 FH2 0.8955
278 AQO 0.8955
279 EVA 0.8954
280 IJZ 0.8954
281 8W9 0.8953
282 2FQ 0.8952
283 AFR 0.8952
284 KIF 0.8950
285 KYA 0.8949
286 2AL 0.8949
287 HA5 0.8948
288 MEW 0.8947
289 OTD 0.8946
290 HLD 0.8944
291 BZ3 0.8944
292 QX2 0.8944
293 0LH 0.8943
294 2HO 0.8943
295 2MN 0.8942
296 INO 0.8942
297 ICO 0.8941
298 JTH 0.8941
299 8IG 0.8940
300 67X 0.8937
301 X6X 0.8936
302 DQA 0.8936
303 790 0.8936
304 B62 0.8936
305 4M0 0.8936
306 15L 0.8935
307 8S0 0.8934
308 3R6 0.8934
309 F12 0.8934
310 OXC 0.8933
311 GSY 0.8933
312 NGA 0.8932
313 7I2 0.8932
314 OIA 0.8931
315 5RN 0.8930
316 GF4 0.8929
317 2J9 0.8929
318 5QY 0.8929
319 8WO 0.8927
320 AJ2 0.8925
321 MAN 0.8925
322 2LY 0.8925
323 CLZ 0.8924
324 5WY 0.8924
325 MRW 0.8924
326 GLT 0.8922
327 H33 0.8922
328 IFP 0.8922
329 TSS 0.8921
330 9FQ 0.8921
331 E7S 0.8920
332 YQA 0.8919
333 SVD 0.8919
334 AEH 0.8918
335 TXW 0.8914
336 LKA 0.8914
337 OHP 0.8913
338 FLC 0.8913
339 JXZ 0.8912
340 7MX 0.8912
341 6RQ 0.8912
342 CFF 0.8911
343 QAT 0.8910
344 3TJ 0.8909
345 226 0.8909
346 KT7 0.8905
347 BMA 0.8905
348 GCB 0.8905
349 J01 0.8904
350 3F0 0.8903
351 SHA 0.8903
352 GZ8 0.8902
353 3PF 0.8900
354 BZJ 0.8899
355 6R8 0.8899
356 CIT 0.8899
357 ADA 0.8898
358 MA3 0.8897
359 NBG 0.8897
360 MUA 0.8896
361 8ZE 0.8896
362 GCV 0.8895
363 HXX 0.8894
364 ICB 0.8894
365 L5V 0.8894
366 30G 0.8894
367 BM3 0.8894
368 3Z8 0.8893
369 JVA 0.8892
370 GPM 0.8892
371 EN1 0.8891
372 NCT 0.8891
373 9UG 0.8890
374 ODO 0.8889
375 1WC 0.8888
376 PXM 0.8887
377 R8V 0.8887
378 1U6 0.8886
379 6CS 0.8886
380 4A5 0.8884
381 0JD 0.8883
382 DBX 0.8883
383 NVU 0.8881
384 TTL 0.8880
385 5PX 0.8878
386 GLF 0.8878
387 UEG 0.8877
388 PRF 0.8877
389 GLY PRO 0.8876
390 4MU 0.8875
391 CCB 0.8874
392 44V 0.8873
393 3R9 0.8873
394 25W 0.8872
395 4M4 0.8872
396 ZWZ 0.8872
397 KJY 0.8872
398 HJP 0.8872
399 SOR 0.8871
400 LI6 0.8869
401 H6B 0.8869
402 GV9 0.8869
403 YH7 0.8868
404 LYL 0.8867
405 463 0.8867
406 DIE 0.8865
407 42J 0.8862
408 C2Y 0.8861
409 9KT 0.8860
410 3DM 0.8859
411 ZXD 0.8859
412 3M0 0.8859
413 GTL 0.8859
414 NCD 0.8858
415 MVL 0.8857
416 M3Q 0.8857
417 II6 0.8857
418 2EC 0.8856
419 23J 0.8856
420 KBB 0.8856
421 8NX 0.8855
422 AIN 0.8855
423 IGA 0.8855
424 AZA 0.8853
425 N2I 0.8853
426 SLC 0.8853
427 4FH 0.8853
428 7M6 0.8852
429 AY4 0.8852
430 PFB 0.8850
431 1XM 0.8849
432 1AL 0.8849
433 5OF 0.8847
434 JP2 0.8847
435 DIG 0.8846
436 KOJ 0.8846
437 9LI 0.8846
438 QAS 0.8846
439 OW7 0.8846
440 PHE 0.8845
441 9FL 0.8844
442 HH5 0.8843
443 X1P 0.8843
444 XX2 0.8842
445 DHS 0.8841
446 IV2 0.8840
447 OW4 0.8840
448 4NG 0.8840
449 7B4 0.8839
450 PHT 0.8839
451 IBM 0.8838
452 QBS 0.8838
453 CWJ 0.8837
454 0FN 0.8836
455 DEE 0.8834
456 MVN 0.8834
457 6AP 0.8833
458 4TE 0.8829
459 QPR 0.8827
460 BRV 0.8826
461 NDH 0.8826
462 61M 0.8826
463 Q71 0.8825
464 X0V 0.8825
465 141 0.8824
466 ALL 0.8823
467 5VL 0.8823
468 XHP 0.8823
469 J9T 0.8822
470 94B 0.8821
471 MR1 0.8821
472 0FO 0.8820
473 0HN 0.8819
474 DBH 0.8819
475 2AK 0.8819
476 OTW 0.8819
477 BOA 0.8819
478 M5N 0.8818
479 N3W 0.8817
480 LT2 0.8817
481 495 0.8817
482 4VY 0.8817
483 ZZ8 0.8816
484 3RI 0.8816
485 0GZ 0.8816
486 AZG 0.8814
487 LDP 0.8814
488 TOF 0.8813
489 A2F 0.8813
490 290 0.8811
491 EA1 0.8811
492 069 0.8811
493 HIS 0.8810
494 3HA 0.8810
495 FDB 0.8810
496 B5D 0.8809
497 BEA 0.8809
498 YO5 0.8808
499 SE2 0.8807
500 K37 0.8807
501 4PW 0.8806
502 20J 0.8806
503 ISD 0.8806
504 QUS 0.8805
505 1P8 0.8805
506 6GU 0.8804
507 4JQ 0.8804
508 0HO 0.8803
509 EYK 0.8803
510 ES2 0.8803
511 MT0 0.8803
512 UQ 0.8803
513 DMD 0.8803
514 F2W 0.8802
515 44W 0.8802
516 HA7 0.8801
517 12B 0.8801
518 G3E 0.8801
519 PX7 0.8801
520 4XY 0.8801
521 K22 0.8800
522 S24 0.8800
523 3NY 0.8799
524 AW5 0.8798
525 XM5 0.8797
526 TT4 0.8797
527 LT3 0.8797
528 24W 0.8794
529 JU2 0.8792
530 IF7 0.8792
531 37T 0.8791
532 IAC 0.8791
533 49O 0.8791
534 J5I 0.8790
535 K2P 0.8790
536 HQ6 0.8790
537 RXA 0.8789
538 3ID 0.8789
539 5NS 0.8789
540 2XX 0.8789
541 CWM 0.8788
542 OVM 0.8787
543 DOR 0.8787
544 FA1 0.8787
545 YTX 0.8787
546 CWS 0.8787
547 8CM 0.8786
548 HDL 0.8786
549 PQ0 0.8786
550 PEY 0.8784
551 DX4 0.8784
552 XIY 0.8783
553 CBF 0.8783
554 3A9 0.8781
555 H62 0.8781
556 HNQ 0.8781
557 XXP 0.8780
558 ES0 0.8780
559 D48 0.8780
560 FGZ 0.8780
561 2ZM 0.8779
562 HHT 0.8779
563 KLK 0.8779
564 AJV 0.8777
565 06B 0.8777
566 ICT 0.8776
567 H5B 0.8776
568 NQ 0.8776
569 0CU 0.8775
570 1QP 0.8775
571 W22 0.8775
572 5XC 0.8775
573 HDH 0.8774
574 MHK 0.8774
575 VGD 0.8774
576 CTL 0.8773
577 DGJ 0.8773
578 CFP 0.8772
579 QM1 0.8771
580 TFU 0.8770
581 FIX 0.8770
582 2D0 0.8769
583 AX3 0.8768
584 5VJ 0.8766
585 XEN 0.8766
586 GZQ 0.8762
587 15N 0.8761
588 DRL 0.8761
589 12Q 0.8760
590 4JT 0.8759
591 3WA 0.8759
592 MQB 0.8758
593 3FH 0.8756
594 HMU 0.8756
595 BCP 0.8754
596 QWN 0.8753
597 NPA 0.8752
598 SYV 0.8752
599 2TQ 0.8750
600 CSN 0.8750
601 RNS 0.8749
602 KWH 0.8749
603 FBG 0.8749
604 4V6 0.8748
605 TAG 0.8748
606 TBS 0.8748
607 CLW 0.8748
608 2A9 0.8748
609 82I 0.8744
610 7W1 0.8743
611 5NE 0.8743
612 EKZ 0.8742
613 2KA 0.8741
614 KLW 0.8741
615 SBK 0.8741
616 M6N 0.8740
617 NID 0.8740
618 GP1 0.8739
619 680 0.8739
620 3OC 0.8739
621 QXW 0.8739
622 3S4 0.8736
623 289 0.8735
624 XXG 0.8735
625 CFA 0.8734
626 AS3 0.8734
627 5SG 0.8734
628 N5J 0.8734
629 XQ0 0.8733
630 HZQ 0.8733
631 6NT 0.8732
632 F1A 0.8730
633 QMS 0.8730
634 5IQ 0.8728
635 APS 0.8728
636 OVP 0.8727
637 4CS 0.8727
638 7NI 0.8726
639 4YS 0.8725
640 2CZ 0.8725
641 GIM 0.8724
642 LDR 0.8724
643 P84 0.8724
644 LNR 0.8723
645 36R 0.8723
646 TLM 0.8722
647 67N 0.8721
648 4Z4 0.8721
649 RH1 0.8720
650 JPZ 0.8719
651 XQG 0.8719
652 PH2 0.8719
653 1SS 0.8718
654 3C4 0.8718
655 PFL 0.8718
656 GRX 0.8718
657 JND 0.8718
658 XXR 0.8717
659 HBO 0.8717
660 KUF 0.8716
661 SAL 0.8716
662 HQT 0.8715
663 GAF 0.8715
664 ADE 0.8714
665 ET2 0.8714
666 SF6 0.8713
667 TRC 0.8712
668 J9Q 0.8712
669 95Z 0.8710
670 XM0 0.8710
671 HMQ 0.8710
672 ES1 0.8710
673 PQK 0.8710
674 UNC 0.8709
675 1SQ 0.8708
676 94E 0.8707
677 LZ2 0.8707
678 V6F 0.8706
679 PJW 0.8705
680 RD4 0.8703
681 HKD 0.8703
682 2K8 0.8703
683 N2Z 0.8703
684 DHY 0.8702
685 OKM 0.8702
686 E7Z 0.8702
687 5VM 0.8701
688 ST2 0.8701
689 ARP 0.8700
690 DPZ 0.8700
691 5Q0 0.8700
692 GCO 0.8699
693 1SV 0.8699
694 FUD 0.8699
695 X8Z 0.8698
696 SKA 0.8698
697 3BU 0.8694
698 HQY 0.8692
699 Q7A 0.8689
700 MS0 0.8689
701 PYQ 0.8688
702 THA 0.8688
703 G5V 0.8688
704 9AP 0.8687
705 HX3 0.8686
706 AHR 0.8686
707 ABI 0.8686
708 2UZ 0.8686
709 KKN 0.8685
710 28N 0.8684
711 2F6 0.8684
712 VNJ 0.8682
713 2HQ 0.8682
714 5OB 0.8682
715 IOS 0.8681
716 12T 0.8679
717 ISN 0.8677
718 JXW 0.8676
719 HHA 0.8675
720 HPT 0.8673
721 1NP 0.8672
722 94W 0.8671
723 EV0 0.8671
724 GZL 0.8671
725 EDR 0.8671
726 KP6 0.8669
727 4XH 0.8669
728 B0D 0.8668
729 AJY 0.8667
730 MFU 0.8667
731 3AL 0.8665
732 BPU 0.8665
733 INS 0.8664
734 FDR 0.8664
735 DNA 0.8663
736 1P3 0.8663
737 JG8 0.8662
738 RIB 0.8661
739 2AQ 0.8661
740 LZM 0.8661
741 FYU 0.8660
742 AA 0.8659
743 SX1 0.8659
744 DRG 0.8658
745 R20 0.8658
746 COU 0.8657
747 XYH 0.8657
748 34D 0.8656
749 1LM 0.8654
750 42A 0.8654
751 8VN 0.8653
752 L99 0.8652
753 M2K 0.8651
754 HHR 0.8650
755 ROI 0.8650
756 XQI 0.8650
757 GJP 0.8650
758 92K 0.8649
759 FHB 0.8648
760 ES7 0.8646
761 M1A 0.8645
762 O72 0.8643
763 ZZT 0.8643
764 60Q 0.8641
765 ENL 0.8640
766 15E 0.8639
767 WUB 0.8638
768 CH9 0.8638
769 ES6 0.8638
770 5NI 0.8637
771 BBK 0.8637
772 3DO 0.8636
773 OCH 0.8636
774 HH8 0.8636
775 EJZ 0.8635
776 H42 0.8634
777 ES5 0.8633
778 HMH 0.8633
779 W8G 0.8631
780 3HM 0.8631
781 4A3 0.8629
782 M1P 0.8628
783 6M4 0.8627
784 EGR 0.8626
785 GL1 0.8625
786 9ZE 0.8624
787 G12 0.8623
788 AOS 0.8619
789 PHH 0.8619
790 1XN 0.8619
791 A29 0.8619
792 3U4 0.8618
793 B53 0.8617
794 ALA PRO 0.8616
795 W81 0.8615
796 JJQ 0.8615
797 N8Y 0.8613
798 NNO 0.8612
799 4YO 0.8612
800 ANF 0.8610
801 2M5 0.8609
802 86J 0.8609
803 DK1 0.8608
804 MIC 0.8608
805 TL6 0.8606
806 G6P 0.8606
807 IFM 0.8606
808 BQ2 0.8605
809 KJH 0.8605
810 J6W 0.8605
811 AEZ 0.8604
812 HHH 0.8601
813 3QV 0.8600
814 4I8 0.8595
815 2CL 0.8594
816 FUL 0.8593
817 DHZ 0.8593
818 RAM 0.8590
819 7W4 0.8588
820 3C2 0.8586
821 40H 0.8585
822 GTZ 0.8581
823 FBB 0.8580
824 7QS 0.8577
825 NIZ 0.8572
826 IPT 0.8570
827 K2T 0.8569
828 LTT 0.8568
829 C8O 0.8564
830 GOG 0.8561
831 BQ5 0.8560
832 SR1 0.8560
833 DCZ 0.8553
834 KG1 0.8552
835 AMR 0.8552
836 GI3 0.8550
837 2A7 0.8549
838 SF9 0.8540
839 2BG 0.8533
840 F9Y 0.8530
841 3J8 0.8526
842 MB1 0.8523
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 5ABH; Ligand: YWN; 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: 5abh.bio2) has 23 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 5ABH; Ligand: YWN; Similar sites found with APoc: 4
This union binding pocket(no: 2) in the query (biounit: 5abh.bio1) has 25 residues
No: Leader PDB Ligand Sequence Similarity
1 5M7S NHT 20.7989
2 5M7S NHT 20.7989
3 5UN9 NHT 29.9603
4 5UN9 NHT 29.9603
APoc FAQ
Feedback