Receptor
PDB id Resolution Class Description Source Keywords
2GQ8 1.7 Å EC: 1.-.-.- STRUCTURE OF SYE1, AN OYE HOMOLOGUE FROM S. ONDEIDENSIS, IN WITH P-HYDROXYACETOPHENONE SHEWANELLA ONEIDENSIS OLD YELLOW ENZYME FLAVOENZYME FMN PHENOLIC LIGANDS OXIDO
Ref.: LIGAND-INDUCED CONFORMATIONAL CHANGES IN THE CAPPIN SUBDOMAIN OF A BACTERIAL OLD YELLOW ENZYME HOMOLOGU CONSERVED SEQUENCE FINGERPRINTS PROVIDE NEW INSIGHT SUBSTRATE BINDING. J.BIOL.CHEM. V. 281 28152 2006
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
AC6 A:3097;
Valid;
none;
submit data
136.148 C8 H8 O2 CC(=O...
BOG A:1296;
Invalid;
none;
submit data
292.369 C14 H28 O6 CCCCC...
FMN A:1401;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
SO4 A:4849;
Invalid;
none;
submit data
96.063 O4 S [O-]S...
TRS A:5080;
Invalid;
none;
submit data
122.143 C4 H12 N O3 C(C(C...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2GOU 1.4 Å EC: 1.-.-.- STRUCTURE OF WILD TYPE, OXIDIZED SYE1, AN OYE HOMOLOGUE FROM ONEIDENSIS SHEWANELLA ONEIDENSIS OLD YEALLOW ENZYME FLAVOENZYME FMN OXIDOREDUCTASE
Ref.: LIGAND-INDUCED CONFORMATIONAL CHANGES IN THE CAPPIN SUBDOMAIN OF A BACTERIAL OLD YELLOW ENZYME HOMOLOGU CONSERVED SEQUENCE FINGERPRINTS PROVIDE NEW INSIGHT SUBSTRATE BINDING. J.BIOL.CHEM. V. 281 28152 2006
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 2GQ9 - HBA C7 H6 O2 c1cc(ccc1C....
2 2GQ8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 2GOU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 2GQA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 337 families.
1 2GQ9 - HBA C7 H6 O2 c1cc(ccc1C....
2 2GQ8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 2GOU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 2GQA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (75)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1H60 Kd = 20 uM STR C21 H30 O2 CC(=O)[C@H....
2 3P7Y - P7Y C8 H7 N O3 c1ccc(c(c1....
3 1H50 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 3P67 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 3KFT - NAD C21 H27 N7 O14 P2 c1cc(c[n+]....
6 1VYP Kd = 0.07 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
7 3P74 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 1GVQ - A2Q C6 H8 O C1CC=CC(=O....
9 5LGX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
10 2ABA Kd = 0.7 uM STR C21 H30 O2 CC(=O)[C@H....
11 6GIA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
12 6GI7 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 1VYS Kd = 0.24 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
14 1GVO - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 3P81 - P81 C8 H7 N O3 c1cc(ccc1/....
16 5LGZ - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
17 3P62 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 6GI9 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 3P82 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
20 1GVR - TNL C7 H5 N3 O6 Cc1c(cc(cc....
21 1H63 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 1H62 Kd = 17 uM ANB C19 H24 O2 C[C@]12CC[....
23 1GVS - TNF C6 H3 N3 O7 c1c(cc(c(c....
24 1H61 Kd = 13 uM PDN C21 H26 O5 C[C@]12CC(....
25 3P80 - P80 C8 H7 N O3 c1cc(cc(c1....
26 2ABB - IPA C3 H8 O CC(C)O
27 6GI8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
28 1VYR Kd = 5.4 uM TNF C6 H3 N3 O7 c1c(cc(c(c....
29 1H51 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
30 2GQ9 - HBA C7 H6 O2 c1cc(ccc1C....
31 2GQ8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
32 2GOU - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
33 2GQA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
34 2HS8 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
35 2HS6 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
36 3HGO - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
37 2HSA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
38 3HGS - PHB C7 H6 O3 c1cc(ccc1C....
39 1OYB - HBA C7 H6 O2 c1cc(ccc1C....
40 1OYC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
41 1BWK - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
42 1OYA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
43 6AGZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
44 4M5P - MLA C3 H4 O4 C(C(=O)O)C....
45 4TMB - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
46 4TMC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
47 6S32 - BAM C7 H9 N2 c1ccc(cc1)....
48 1ICS - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
49 3HGR - PHB C7 H6 O3 c1cc(ccc1C....
50 1ICP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
51 1ICQ - OPD C18 H28 O3 CCC=CC[C@@....
52 3ATY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
53 3ATZ - HBA C7 H6 O2 c1cc(ccc1C....
54 6UFF - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
55 6MYW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
56 6O08 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
57 1Q45 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
58 2Q3O - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
59 2R14 Kd = 0.63 mM TXD C21 H31 N7 O14 P2 c1nc(c2c(n....
60 3GX9 - TXD C21 H31 N7 O14 P2 c1nc(c2c(n....
61 1GWJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
62 1VJI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
63 2Q3R - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
64 4JIQ Kd = 0.73 mM 1L5 C9 H9 N O2 C/C(=CN(=O....
65 4JIP - HBA C7 H6 O2 c1cc(ccc1C....
66 4JIC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
67 5N6G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
68 4QNW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
69 6S31 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70 6S23 - KSW C6 H6 O CC1=CC=CC1....
71 6S0G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
72 4RNX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
73 4RNV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
74 4RNW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
75 4A3U - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: AC6; Similar ligands found: 5
No: Ligand ECFP6 Tc MDL keys Tc
1 AC6 1 1
2 PHB 0.592593 0.764706
3 DBE 0.535714 0.722222
4 53C 0.411765 1
5 HHH 0.411765 0.65
Ligand no: 2; Ligand: FMN; Similar ligands found: 18
No: Ligand ECFP6 Tc MDL keys Tc
1 FMN 1 1
2 RBF 0.75641 0.876712
3 9O9 0.574468 0.934211
4 RS3 0.571429 0.831169
5 FAD 0.543307 0.876543
6 FAS 0.543307 0.876543
7 FAE 0.539062 0.865854
8 UBG 0.534351 0.888889
9 5DD 0.475248 0.972603
10 LFN 0.475 0.643836
11 C3F 0.473684 0.74359
12 CF4 0.463918 0.734177
13 FAY 0.446043 0.864198
14 FNR 0.444444 0.909091
15 RFL 0.442857 0.845238
16 4LS 0.411215 0.875
17 1VY 0.406593 0.769231
18 DLZ 0.404494 0.782051
Similar Ligands (3D)
Ligand no: 1; Ligand: AC6; Similar ligands found: 1233
No: Ligand Similarity coefficient
1 7A8 1.0000
2 PBZ 1.0000
3 SW7 1.0000
4 NPO 1.0000
5 PAB 1.0000
6 P72 0.9981
7 4MA 0.9980
8 HBD 0.9971
9 Z82 0.9964
10 1Y6 0.9958
11 826 0.9935
12 174 0.9878
13 4NC 0.9797
14 HBA 0.9793
15 4VP 0.9785
16 XX2 0.9782
17 PBC 0.9773
18 BEN 0.9744
19 PNZ 0.9743
20 SAN 0.9735
21 BAM 0.9723
22 4J8 0.9710
23 BEZ 0.9709
24 HDH 0.9704
25 UNU 0.9702
26 DOB 0.9701
27 NCA 0.9686
28 DHB 0.9685
29 ANN 0.9681
30 4P5 0.9678
31 2HO 0.9671
32 AMH 0.9670
33 INO 0.9669
34 TSU 0.9665
35 QSC 0.9661
36 JLZ 0.9660
37 NIO 0.9659
38 BHA 0.9655
39 MYJ 0.9653
40 5CU 0.9653
41 NNO 0.9651
42 NBZ 0.9648
43 6PC 0.9647
44 QSB 0.9647
45 CFI 0.9643
46 SS2 0.9642
47 P9P 0.9641
48 FBS 0.9641
49 FHB 0.9637
50 93K 0.9637
51 IHB 0.9637
52 E5X 0.9636
53 ISZ 0.9635
54 4JM 0.9633
55 C2B 0.9632
56 4A3 0.9631
57 FA0 0.9627
58 PZA 0.9627
59 4JL 0.9626
60 FCR 0.9622
61 3HM 0.9617
62 AC0 0.9615
63 CHB 0.9613
64 BHO 0.9613
65 9TW 0.9611
66 GJZ 0.9610
67 DHR 0.9600
68 SS1 0.9600
69 4M0 0.9599
70 BNS 0.9596
71 FBA 0.9596
72 4BZ 0.9595
73 BPN 0.9594
74 NIZ 0.9593
75 NTN 0.9591
76 JZ7 0.9584
77 OTR 0.9583
78 TH7 0.9583
79 4NM 0.9579
80 YCP 0.9578
81 RSO 0.9573
82 FQI 0.9571
83 SN4 0.9556
84 GUA 0.9548
85 5NU 0.9547
86 HMH 0.9547
87 PHU 0.9546
88 AAS 0.9543
89 AMS 0.9543
90 I1E 0.9541
91 IPB 0.9541
92 BE7 0.9537
93 FAN 0.9535
94 M4T 0.9528
95 4ZA 0.9521
96 4WL 0.9520
97 OAA 0.9514
98 259 0.9512
99 FBM 0.9508
100 BZX 0.9496
101 AEF 0.9490
102 YRL 0.9487
103 BE2 0.9487
104 SAL 0.9485
105 BP9 0.9476
106 VGL 0.9475
107 TYL 0.9471
108 LNR 0.9468
109 PAC 0.9466
110 8WO 0.9461
111 FEH 0.9460
112 H8N 0.9460
113 SRT 0.9457
114 ZXD 0.9457
115 4FA 0.9455
116 7N0 0.9454
117 AMC 0.9453
118 FB2 0.9452
119 1P8 0.9451
120 M58 0.9450
121 CXF 0.9449
122 F9P 0.9448
123 IT2 0.9445
124 OK7 0.9445
125 QY9 0.9444
126 ROR 0.9441
127 JAE 0.9438
128 CN0 0.9435
129 7WG 0.9433
130 MUC 0.9431
131 ES6 0.9426
132 14J 0.9426
133 KOJ 0.9424
134 HY1 0.9422
135 XM0 0.9422
136 4XR 0.9421
137 24B 0.9420
138 S2G 0.9417
139 AX7 0.9417
140 TLA 0.9415
141 PZM 0.9410
142 HIO 0.9406
143 BZ3 0.9406
144 MS9 0.9405
145 I3E 0.9405
146 ES2 0.9405
147 2FY 0.9404
148 1SA 0.9404
149 JKE 0.9402
150 FBB 0.9396
151 H42 0.9396
152 LCN 0.9395
153 COI 0.9394
154 0HO 0.9394
155 SKM 0.9392
156 ET2 0.9389
157 XYL 0.9386
158 RB5 0.9386
159 GLU 0.9386
160 K2T 0.9385
161 ABV 0.9382
162 717 0.9382
163 2A9 0.9379
164 XIY 0.9379
165 XQ0 0.9378
166 449 0.9377
167 5QY 0.9376
168 GDE 0.9375
169 SYV 0.9375
170 MZW 0.9374
171 6NT 0.9373
172 TPA 0.9372
173 K34 0.9372
174 TTL 0.9370
175 UGC 0.9370
176 03V 0.9368
177 36R 0.9366
178 RBJ 0.9366
179 OVV 0.9364
180 MLT 0.9363
181 3NY 0.9359
182 HMU 0.9359
183 PMB 0.9359
184 IP0 0.9359
185 6FZ 0.9358
186 4SV 0.9356
187 5OB 0.9356
188 IDM 0.9355
189 DE5 0.9353
190 1M2 0.9352
191 MNN 0.9350
192 VGD 0.9350
193 X0V 0.9350
194 4JT 0.9349
195 JA8 0.9348
196 FYU 0.9347
197 IFP 0.9347
198 0HN 0.9346
199 LDP 0.9346
200 HX3 0.9345
201 4AA 0.9345
202 5H1 0.9344
203 HBX 0.9344
204 1DJ 0.9343
205 2CK 0.9342
206 4SX 0.9341
207 6RQ 0.9341
208 OCH 0.9340
209 2AQ 0.9340
210 GAB 0.9339
211 MRZ 0.9338
212 COU 0.9338
213 LMR 0.9337
214 F60 0.9337
215 2K4 0.9336
216 JB5 0.9336
217 CLW 0.9336
218 ES5 0.9336
219 MXN 0.9336
220 49F 0.9335
221 SHA 0.9334
222 14O 0.9334
223 4FS 0.9333
224 2RH 0.9330
225 3A9 0.9329
226 F4E 0.9328
227 5VM 0.9326
228 M3H 0.9324
229 3NT 0.9324
230 11S 0.9322
231 3U4 0.9322
232 DBH 0.9321
233 4JQ 0.9320
234 OKG 0.9319
235 5MI 0.9314
236 HHA 0.9313
237 3PF 0.9313
238 ABN 0.9313
239 3HA 0.9311
240 ODO 0.9310
241 4CS 0.9310
242 2MI 0.9309
243 RHU 0.9309
244 JZ5 0.9307
245 EHM 0.9306
246 3OC 0.9305
247 SYN 0.9305
248 DMD 0.9301
249 1F1 0.9299
250 270 0.9298
251 AL0 0.9298
252 DYA 0.9297
253 3HB 0.9297
254 3ID 0.9295
255 5XC 0.9294
256 DHK 0.9293
257 QWN 0.9292
258 5QX 0.9292
259 PEA 0.9291
260 67N 0.9291
261 BZ2 0.9291
262 8H8 0.9291
263 D48 0.9289
264 4FH 0.9289
265 5WV 0.9288
266 JDN 0.9287
267 HL5 0.9287
268 54D 0.9285
269 1PT 0.9285
270 EKZ 0.9285
271 J5I 0.9283
272 40E 0.9282
273 NOY 0.9281
274 2BG 0.9280
275 5MB 0.9278
276 8ZE 0.9278
277 HYA 0.9277
278 SEP 0.9275
279 NPY 0.9274
280 1MR 0.9274
281 PIM 0.9274
282 P92 0.9273
283 HC4 0.9273
284 SMV 0.9273
285 6AI 0.9272
286 2FT 0.9271
287 L99 0.9269
288 JAW 0.9269
289 B57 0.9268
290 173 0.9266
291 BRT 0.9266
292 ES7 0.9264
293 3AB 0.9264
294 6NI 0.9263
295 2HU 0.9263
296 2MH 0.9263
297 WCE 0.9262
298 KKN 0.9261
299 2ZM 0.9261
300 TZF 0.9260
301 3SL 0.9260
302 ABI 0.9259
303 AKG 0.9258
304 8GC 0.9257
305 MQN 0.9256
306 4JC 0.9256
307 QMP 0.9254
308 F05 0.9254
309 6M9 0.9253
310 PZI 0.9253
311 LDU 0.9252
312 ZZT 0.9250
313 PKU 0.9250
314 2HQ 0.9249
315 MED 0.9248
316 QUZ 0.9248
317 SE2 0.9246
318 5NI 0.9246
319 BML 0.9246
320 3M0 0.9245
321 MSR 0.9245
322 G3E 0.9244
323 FGZ 0.9244
324 XUL 0.9243
325 261 0.9243
326 4JU 0.9243
327 IV2 0.9242
328 ES9 0.9242
329 NDH 0.9242
330 M4S 0.9242
331 4YO 0.9242
332 ASC 0.9241
333 PYF 0.9240
334 J9T 0.9240
335 MR1 0.9240
336 PIY 0.9239
337 AOS 0.9237
338 ISN 0.9237
339 SNU 0.9237
340 5HN 0.9235
341 TZC 0.9234
342 2PC 0.9234
343 QXW 0.9232
344 IFL 0.9231
345 BCU 0.9231
346 PCA 0.9229
347 FK1 0.9229
348 VNJ 0.9229
349 QSH 0.9228
350 JBE 0.9227
351 BSX 0.9227
352 FBV 0.9227
353 LYL 0.9226
354 KJU 0.9226
355 ICB 0.9223
356 E7Z 0.9223
357 KJH 0.9222
358 FB1 0.9222
359 NMJ 0.9221
360 MAE 0.9221
361 1AB 0.9220
362 EDG 0.9220
363 268 0.9220
364 NOJ 0.9219
365 ASP 0.9219
366 CPZ 0.9219
367 NSP 0.9219
368 C1M 0.9218
369 86J 0.9218
370 069 0.9217
371 IF7 0.9217
372 12Q 0.9216
373 H4N 0.9216
374 7W1 0.9216
375 NBE 0.9216
376 4HP 0.9216
377 FPI 0.9212
378 4CH 0.9212
379 PYJ 0.9212
380 G2F 0.9211
381 3BZ 0.9209
382 7W4 0.9208
383 ASN 0.9207
384 4Z4 0.9207
385 6M4 0.9207
386 FP1 0.9206
387 J9Q 0.9206
388 DEN 0.9205
389 2LP 0.9204
390 HSO 0.9204
391 DHS 0.9204
392 RAT 0.9203
393 DGJ 0.9203
394 3DO 0.9203
395 PRO 0.9203
396 5LA 0.9202
397 8K2 0.9202
398 JBN 0.9201
399 L14 0.9200
400 LT2 0.9200
401 3F0 0.9198
402 FE DB1 0.9198
403 B24 0.9198
404 GYE 0.9197
405 CTL 0.9196
406 97T 0.9195
407 OHG 0.9194
408 C21 0.9193
409 TGX 0.9192
410 4VY 0.9192
411 LEU 0.9192
412 3BU 0.9191
413 KBZ 0.9191
414 9CL 0.9189
415 SMN 0.9189
416 XRG 0.9189
417 271 0.9189
418 M1A 0.9188
419 36Y 0.9187
420 7WV 0.9187
421 G4D 0.9184
422 ASO 0.9183
423 RBL 0.9182
424 ORN 0.9181
425 0TU 0.9181
426 J9N 0.9181
427 3SK 0.9181
428 4NB 0.9180
429 NLE 0.9178
430 NF3 0.9175
431 T9G 0.9174
432 282 0.9173
433 HQT 0.9173
434 1DV 0.9172
435 1WD 0.9171
436 PY7 0.9170
437 5GU 0.9168
438 BDP 0.9164
439 SKA 0.9162
440 APY 0.9162
441 SIN 0.9162
442 GGL 0.9161
443 2IT 0.9161
444 RNO 0.9158
445 URS 0.9158
446 LQ2 0.9156
447 5AC 0.9156
448 7MU 0.9153
449 60P 0.9152
450 CWJ 0.9151
451 SYC 0.9151
452 TIU 0.9150
453 8NY 0.9149
454 GAG 0.9149
455 N2I 0.9147
456 DGN 0.9147
457 NYL 0.9144
458 I3A 0.9144
459 KTA 0.9143
460 YPN 0.9141
461 OXZ 0.9141
462 OGA 0.9141
463 258 0.9136
464 4HS 0.9135
465 IND 0.9133
466 XBT 0.9132
467 ESX 0.9132
468 PYC 0.9132
469 IFM 0.9131
470 J6W 0.9131
471 F9Y 0.9130
472 UY7 0.9130
473 SNO 0.9129
474 B85 0.9129
475 HIS 0.9129
476 VNL 0.9128
477 9RW 0.9125
478 94W 0.9125
479 PEL 0.9124
480 R2B 0.9123
481 42J 0.9122
482 THE 0.9121
483 HPS 0.9121
484 A5E 0.9121
485 0RW 0.9120
486 GLN 0.9118
487 TZL 0.9116
488 ZBT 0.9116
489 JZ9 0.9115
490 4JN 0.9113
491 AEG 0.9112
492 GLC 0.9106
493 PEP 0.9106
494 BZI 0.9105
495 AHR 0.9102
496 B40 0.9101
497 LZ1 0.9101
498 SPA 0.9101
499 HQE 0.9101
500 MRY 0.9100
501 PCR 0.9100
502 1DW 0.9099
503 9FL 0.9099
504 RIB 0.9098
505 RNT 0.9098
506 3DM 0.9094
507 KMT 0.9093
508 GRE 0.9093
509 ADA 0.9092
510 DIN 0.9090
511 82I 0.9089
512 2HG 0.9089
513 GZL 0.9088
514 PXY 0.9088
515 HYP 0.9088
516 F31 0.9088
517 GTR 0.9087
518 TAR 0.9087
519 DGL 0.9086
520 RMN 0.9086
521 AHB 0.9084
522 15E 0.9084
523 273 0.9083
524 ILE 0.9083
525 DAL DAL 0.9081
526 JZ3 0.9080
527 1P3 0.9080
528 265 0.9079
529 A29 0.9079
530 URO 0.9078
531 TEO 0.9078
532 LG4 0.9077
533 1LQ 0.9077
534 MET 0.9076
535 LPK 0.9076
536 DA1 0.9075
537 FBW 0.9075
538 4JP 0.9074
539 5XB 0.9074
540 0P6 0.9074
541 2AS 0.9074
542 BNF 0.9073
543 TP5 0.9072
544 4PN 0.9072
545 13P 0.9072
546 0R1 0.9070
547 5WZ 0.9070
548 PLQ 0.9070
549 6F0 0.9070
550 DFB 0.9070
551 FUD 0.9068
552 FPN 0.9067
553 HSE 0.9066
554 3QM 0.9066
555 A09 0.9066
556 4HM 0.9064
557 A7N 0.9064
558 4XV 0.9062
559 4XS 0.9061
560 GRO 0.9059
561 PXL 0.9059
562 GAL 0.9059
563 GTQ 0.9059
564 URP 0.9056
565 MPI 0.9056
566 FOA 0.9054
567 Q88 0.9054
568 2AL 0.9054
569 XLS 0.9053
570 BZF 0.9053
571 IOL 0.9053
572 A7W 0.9052
573 EUG 0.9051
574 HCS 0.9050
575 52C 0.9050
576 1DU 0.9049
577 PEQ 0.9047
578 0V5 0.9047
579 0VT 0.9047
580 NK 0.9047
581 E7S 0.9046
582 R9S 0.9045
583 3XX 0.9045
584 PO6 0.9044
585 69O 0.9044
586 AZF 0.9044
587 SOL 0.9042
588 BPW 0.9042
589 TH0 0.9042
590 PRS 0.9042
591 8CM 0.9040
592 N2Z 0.9040
593 3MB 0.9039
594 FBJ 0.9039
595 IWT 0.9039
596 25R 0.9039
597 0BP 0.9039
598 UNJ 0.9038
599 5RN 0.9037
600 FA1 0.9037
601 2D0 0.9036
602 SJ5 0.9036
603 15N 0.9035
604 8OZ 0.9035
605 CWS 0.9034
606 J9W 0.9034
607 TAG 0.9032
608 24W 0.9031
609 B53 0.9031
610 6NA 0.9030
611 MCT 0.9030
612 M45 0.9028
613 9X7 0.9027
614 L3Q 0.9027
615 9R5 0.9026
616 1P7 0.9026
617 KTJ 0.9025
618 6M1 0.9025
619 0JD 0.9024
620 R67 0.9023
621 CEE 0.9020
622 M6W 0.9018
623 CWM 0.9018
624 MRW 0.9017
625 4CL 0.9017
626 IXW 0.9017
627 HSM 0.9016
628 K7M 0.9016
629 OVM 0.9016
630 GVH 0.9016
631 92K 0.9016
632 R8A 0.9016
633 KUF 0.9014
634 0R0 0.9013
635 ESP 0.9013
636 152 0.9012
637 HH5 0.9012
638 FDB 0.9011
639 XYP 0.9011
640 9EW 0.9010
641 FPY 0.9010
642 7HQ 0.9009
643 HQJ 0.9009
644 GZ3 0.9008
645 GXL 0.9007
646 SVN 0.9007
647 OHP 0.9006
648 ICO 0.9005
649 3HG 0.8998
650 LXC 0.8998
651 RNS 0.8997
652 HLR 0.8997
653 RM1 0.8996
654 GCU 0.8995
655 JZ2 0.8995
656 GLO 0.8994
657 EA1 0.8994
658 8WT 0.8993
659 4JJ 0.8991
660 FOC 0.8991
661 WBU 0.8990
662 XCZ 0.8990
663 2BX 0.8989
664 0CT 0.8989
665 9TZ 0.8989
666 51R 0.8989
667 GBD 0.8988
668 HX2 0.8987
669 UFV 0.8987
670 SOR 0.8985
671 G3H 0.8985
672 G3P 0.8985
673 36E 0.8984
674 1SQ 0.8983
675 286 0.8983
676 HHI 0.8983
677 XAN 0.8983
678 NCT 0.8982
679 12T 0.8981
680 54G 0.8981
681 1MC 0.8981
682 PHE 0.8981
683 5B1 0.8980
684 AFR 0.8980
685 5RG 0.8979
686 7B4 0.8979
687 R9Y 0.8979
688 HY3 0.8978
689 KDV 0.8977
690 HPA 0.8977
691 42A 0.8976
692 8XL 0.8976
693 5SG 0.8976
694 264 0.8976
695 5RO 0.8976
696 K5W 0.8976
697 G3F 0.8974
698 OXQ 0.8974
699 GAF 0.8974
700 M2K 0.8974
701 BGC 0.8973
702 3PG 0.8973
703 2HC 0.8973
704 GLA 0.8972
705 SD4 0.8972
706 1GP 0.8970
707 428 0.8969
708 5M0 0.8969
709 PBA 0.8968
710 TYE 0.8968
711 1LN 0.8968
712 3IT 0.8967
713 MZG 0.8966
714 MNM 0.8966
715 5IQ 0.8965
716 3S5 0.8964
717 9CA 0.8964
718 ICF 0.8964
719 XYD 0.8963
720 XBZ 0.8963
721 1IT 0.8963
722 ES0 0.8962
723 FUM 0.8961
724 2AC 0.8960
725 TZE 0.8960
726 PRY 0.8960
727 4YS 0.8960
728 5MH 0.8960
729 GCS 0.8959
730 BR9 0.8959
731 TWO 0.8959
732 SVD 0.8959
733 SOE 0.8957
734 DIE 0.8957
735 27Y 0.8956
736 15L 0.8955
737 6CS 0.8955
738 DHI 0.8954
739 JZ4 0.8953
740 MEV 0.8950
741 4HO 0.8950
742 1A7 0.8950
743 HQY 0.8949
744 DAS 0.8949
745 GCB 0.8948
746 DS0 0.8948
747 HQD 0.8947
748 PRA 0.8946
749 9YL 0.8946
750 0FN 0.8946
751 URC 0.8946
752 GLY GLY 0.8945
753 X6X 0.8945
754 GIV 0.8944
755 ES1 0.8944
756 3Z8 0.8942
757 N5J 0.8942
758 7VP 0.8941
759 GIF 0.8941
760 GZQ 0.8940
761 E1T 0.8939
762 GP9 0.8939
763 XXG 0.8939
764 URF 0.8938
765 9ZE 0.8937
766 4HC 0.8937
767 TDR 0.8934
768 5UC 0.8934
769 ITN 0.8934
770 LZM 0.8934
771 QIC 0.8933
772 4P0 0.8932
773 9DG 0.8932
774 BNL 0.8930
775 MWJ 0.8930
776 34A 0.8930
777 5Q0 0.8930
778 LT1 0.8930
779 MWM 0.8929
780 3FH 0.8929
781 EVA 0.8928
782 HNK 0.8928
783 HNL 0.8927
784 JPZ 0.8927
785 23A 0.8925
786 45L 0.8925
787 GOJ 0.8924
788 5MK 0.8924
789 2EC 0.8922
790 2PG 0.8920
791 1NP 0.8920
792 RSF 0.8920
793 ICP 0.8919
794 PYD 0.8919
795 4SD 0.8918
796 1Z6 0.8918
797 I4B 0.8918
798 K97 0.8917
799 DEW 0.8917
800 OXC 0.8917
801 L5V 0.8917
802 FBT 0.8917
803 M1Q 0.8915
804 4ZE 0.8915
805 KMH 0.8914
806 H4E 0.8913
807 F1A 0.8913
808 MPV 0.8913
809 PGH 0.8912
810 F81 0.8912
811 JZ1 0.8910
812 LGC 0.8909
813 DMJ 0.8909
814 AES 0.8909
815 PMF 0.8909
816 BEA 0.8909
817 1CO 0.8908
818 5JC 0.8908
819 GXY 0.8908
820 A1U 0.8907
821 1DQ 0.8907
822 8S0 0.8905
823 KT7 0.8905
824 JAB 0.8905
825 LYS 0.8904
826 PPR 0.8904
827 2MP 0.8904
828 23J 0.8904
829 GVG 0.8903
830 43M 0.8903
831 QBK 0.8902
832 ESI 0.8901
833 34D 0.8900
834 GWM 0.8900
835 GLL 0.8900
836 IDH 0.8896
837 ADE 0.8895
838 JB8 0.8894
839 TFB 0.8894
840 SPV 0.8893
841 MAJ 0.8893
842 QOS 0.8892
843 OW4 0.8891
844 PA1 0.8890
845 AW5 0.8889
846 ALL 0.8887
847 N4B 0.8886
848 SX1 0.8885
849 QBS 0.8885
850 EN1 0.8885
851 75K 0.8885
852 SWA 0.8885
853 PRF 0.8884
854 XDE 0.8884
855 CRN 0.8884
856 PQK 0.8883
857 Q24 0.8882
858 ORO 0.8882
859 FK8 0.8881
860 2YU 0.8880
861 BTY 0.8878
862 DHY 0.8877
863 V55 0.8876
864 PSJ 0.8875
865 6KT 0.8875
866 ALE 0.8874
867 GUN 0.8874
868 23W 0.8873
869 2ZV 0.8872
870 H62 0.8872
871 F0J 0.8871
872 TCA 0.8870
873 M5K 0.8869
874 B3U 0.8869
875 KIV 0.8868
876 KJY 0.8867
877 92P 0.8867
878 39O 0.8867
879 3V4 0.8867
880 XAZ 0.8866
881 149 0.8863
882 DOR 0.8862
883 NXA 0.8860
884 M6N 0.8860
885 PH3 0.8860
886 HH8 0.8858
887 2F6 0.8857
888 PJW 0.8854
889 HX4 0.8854
890 SME 0.8854
891 IOM 0.8854
892 2QC 0.8853
893 HT4 0.8852
894 TLD 0.8852
895 44W 0.8852
896 9FE 0.8851
897 IMR 0.8851
898 0TR 0.8850
899 6TZ 0.8850
900 4TU 0.8850
901 1GN 0.8849
902 EOL 0.8848
903 FCA 0.8847
904 C2Y 0.8847
905 F4K 0.8846
906 PE0 0.8845
907 VOH 0.8844
908 SWD 0.8843
909 N8Y 0.8843
910 3AE 0.8842
911 1KP 0.8840
912 FBF 0.8840
913 2FG 0.8839
914 QWW 0.8839
915 FH2 0.8839
916 2LY 0.8838
917 FDK 0.8838
918 8TX 0.8838
919 QX2 0.8837
920 IZC 0.8837
921 3C4 0.8837
922 Q02 0.8834
923 AJ2 0.8833
924 0N7 0.8833
925 OTW 0.8833
926 7HP 0.8833
927 DTU 0.8832
928 VXX 0.8832
929 RUY 0.8832
930 C2A 0.8832
931 275 0.8831
932 HCI 0.8831
933 TM7 0.8831
934 ADZ 0.8831
935 FA3 0.8831
936 SC2 0.8831
937 SHF 0.8830
938 AZ9 0.8830
939 MAH 0.8830
940 WOO 0.8829
941 CH9 0.8829
942 APG 0.8828
943 FDR 0.8828
944 4JO 0.8827
945 0F9 0.8827
946 R20 0.8826
947 10L 0.8825
948 S7J 0.8825
949 51F 0.8824
950 AZA 0.8824
951 PPY 0.8822
952 CFP 0.8821
953 R1X 0.8821
954 4NZ 0.8821
955 WOT 0.8820
956 HDA 0.8820
957 6GU 0.8819
958 YIO 0.8817
959 CSS 0.8817
960 HA5 0.8816
961 SNE 0.8816
962 4XH 0.8812
963 263 0.8811
964 EDR 0.8811
965 J1Z 0.8811
966 B62 0.8811
967 CTS 0.8810
968 AZ8 0.8809
969 IUR 0.8808
970 SAF 0.8807
971 KBG 0.8807
972 DQA 0.8807
973 AQO 0.8806
974 0W8 0.8805
975 B55 0.8804
976 AGK 0.8804
977 3ZB 0.8803
978 2H5 0.8802
979 MEW 0.8802
980 KYD 0.8802
981 FUL 0.8801
982 LR5 0.8801
983 NK2 0.8799
984 3YP 0.8798
985 X05 0.8797
986 44V 0.8797
987 AJV 0.8795
988 2CL 0.8795
989 KTW 0.8794
990 G6D 0.8794
991 OVP 0.8794
992 JYD 0.8793
993 5JQ 0.8792
994 CXP 0.8791
995 Z5P 0.8791
996 8U3 0.8790
997 NVI 0.8786
998 PQ0 0.8785
999 NAG 0.8784
1000 1XM 0.8784
1001 MAK 0.8783
1002 E4P 0.8782
1003 AM4 0.8782
1004 DQU 0.8781
1005 2AK 0.8781
1006 4M4 0.8780
1007 2CQ 0.8779
1008 Y8I 0.8778
1009 86L 0.8777
1010 MAN 0.8777
1011 4BL 0.8777
1012 9DA 0.8776
1013 PGA 0.8776
1014 Q6T 0.8775
1015 ONR 0.8775
1016 BP1 0.8774
1017 DFU 0.8774
1018 HVQ 0.8774
1019 4MV 0.8773
1020 4BY 0.8773
1021 YH7 0.8771
1022 3AL 0.8769
1023 6ME 0.8769
1024 XYS 0.8767
1025 D1X 0.8766
1026 S24 0.8766
1027 FUC 0.8765
1028 42C 0.8764
1029 4RU 0.8764
1030 TT4 0.8764
1031 MVN 0.8763
1032 DEE 0.8763
1033 37T 0.8763
1034 LRH 0.8762
1035 AKH 0.8761
1036 JND 0.8761
1037 45C 0.8760
1038 8NB 0.8759
1039 AN3 0.8758
1040 XHP 0.8757
1041 MO8 0.8757
1042 6MP 0.8756
1043 9HX 0.8755
1044 O72 0.8754
1045 SLS 0.8754
1046 Z13 0.8754
1047 ABU 0.8754
1048 PRZ 0.8753
1049 150 0.8753
1050 KP6 0.8752
1051 TSS 0.8752
1052 5JL 0.8751
1053 2GS 0.8751
1054 KBB 0.8751
1055 36M 0.8748
1056 QBM 0.8747
1057 141 0.8745
1058 R8V 0.8745
1059 7CZ 0.8745
1060 7VS 0.8745
1061 GJP 0.8744
1062 VK3 0.8744
1063 QX4 0.8743
1064 1WG 0.8742
1065 8IG 0.8742
1066 XIZ 0.8742
1067 4CM 0.8741
1068 T2C 0.8741
1069 0CU 0.8740
1070 GPJ 0.8740
1071 1HN 0.8740
1072 4MU 0.8739
1073 A2F 0.8738
1074 T6C 0.8738
1075 EQT 0.8736
1076 JBH 0.8736
1077 290 0.8735
1078 7MH 0.8735
1079 7WA 0.8734
1080 DX4 0.8734
1081 PG3 0.8733
1082 EVF 0.8732
1083 BCP 0.8730
1084 0MK 0.8727
1085 DVQ 0.8727
1086 PD2 0.8727
1087 JBK 0.8726
1088 G5V 0.8724
1089 AOT 0.8724
1090 DTL 0.8723
1091 DBX 0.8722
1092 1LM 0.8721
1093 NQ 0.8719
1094 A7H 0.8719
1095 BTE 0.8719
1096 AZG 0.8719
1097 JFJ 0.8719
1098 CIT 0.8719
1099 EYK 0.8718
1100 BMA 0.8718
1101 3W8 0.8717
1102 680 0.8717
1103 HFA 0.8715
1104 HJP 0.8713
1105 3HP 0.8713
1106 6AP 0.8713
1107 RIP 0.8712
1108 SHG 0.8710
1109 2FQ 0.8710
1110 7WR 0.8710
1111 BVC 0.8710
1112 Q07 0.8709
1113 SYM 0.8709
1114 MWP 0.8707
1115 A13 0.8706
1116 APZ 0.8705
1117 DRL 0.8704
1118 RXA 0.8703
1119 INE 0.8702
1120 IHG 0.8702
1121 0FO 0.8700
1122 PXM 0.8698
1123 ARB 0.8698
1124 TTY 0.8694
1125 DBJ 0.8692
1126 ENO 0.8691
1127 IGA 0.8690
1128 0OC 0.8689
1129 HL4 0.8686
1130 35C 0.8686
1131 25W 0.8685
1132 C2U 0.8681
1133 UA5 0.8679
1134 MEQ 0.8679
1135 PC 0.8677
1136 ES4 0.8677
1137 FHC 0.8674
1138 TC7 0.8671
1139 MZT 0.8670
1140 DIU 0.8670
1141 BVG 0.8670
1142 0LH 0.8669
1143 MZ0 0.8669
1144 32X 0.8668
1145 X0U 0.8665
1146 25T 0.8665
1147 XX3 0.8663
1148 3QV 0.8663
1149 BOA 0.8662
1150 PYQ 0.8661
1151 MZB 0.8661
1152 F4Z 0.8660
1153 DHQ 0.8658
1154 RUJ 0.8655
1155 IAC 0.8654
1156 FOT 0.8654
1157 JG8 0.8653
1158 P4B 0.8653
1159 A65 0.8652
1160 27B 0.8649
1161 4JE 0.8648
1162 7MX 0.8648
1163 ZYX 0.8644
1164 ABE 0.8643
1165 PPT 0.8643
1166 UNC 0.8642
1167 SRO 0.8641
1168 JIF 0.8640
1169 EGR 0.8638
1170 MUA 0.8636
1171 AJY 0.8636
1172 PLU 0.8636
1173 280 0.8634
1174 HLZ 0.8634
1175 6VD 0.8632
1176 0W1 0.8632
1177 M1E 0.8627
1178 PM6 0.8626
1179 8W9 0.8626
1180 RAM 0.8624
1181 MT0 0.8623
1182 1DH 0.8621
1183 4LW 0.8620
1184 MBG 0.8619
1185 ZZ3 0.8619
1186 1L5 0.8618
1187 N3W 0.8617
1188 KVP 0.8614
1189 CMS 0.8609
1190 GXE 0.8609
1191 CXL 0.8609
1192 ECE 0.8607
1193 GOO 0.8606
1194 PDC 0.8606
1195 4ME 0.8602
1196 RUU 0.8602
1197 TBP 0.8601
1198 BZJ 0.8601
1199 FBU 0.8597
1200 THR 0.8597
1201 9PY 0.8596
1202 3WA 0.8593
1203 ZYR 0.8590
1204 GF4 0.8590
1205 ICC 0.8588
1206 PEY 0.8588
1207 6OT 0.8588
1208 535 0.8585
1209 K17 0.8585
1210 GVY 0.8581
1211 JRB 0.8579
1212 CLZ 0.8579
1213 IJZ 0.8577
1214 4XX 0.8575
1215 8CL 0.8574
1216 TOF 0.8570
1217 2KA 0.8569
1218 P3K 0.8568
1219 DQY 0.8566
1220 HAI 0.8565
1221 JF6 0.8559
1222 4I8 0.8558
1223 MJ2 0.8558
1224 TMZ 0.8553
1225 N4E 0.8550
1226 NEQ 0.8550
1227 FLC 0.8548
1228 CYH 0.8538
1229 PH2 0.8529
1230 CFF 0.8528
1231 K32 0.8528
1232 EV0 0.8523
1233 TTO 0.8515
Ligand no: 2; Ligand: FMN; Similar ligands found: 10
No: Ligand Similarity coefficient
1 7O6 0.9670
2 4X4 0.8996
3 4LU 0.8884
4 E2U 0.8865
5 HDF 0.8834
6 AFQ 0.8817
7 E2X 0.8805
8 E89 0.8698
9 1WJ 0.8673
10 FZZ 0.8606
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2GOU; Ligand: FMN; Similar sites found with APoc: 2
This union binding pocket(no: 1) in the query (biounit: 2gou.bio1) has 34 residues
No: Leader PDB Ligand Sequence Similarity
1 5OCS FMN 30.6849
2 3HF3 FMN 47.2779
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