Receptor
PDB id Resolution Class Description Source Keywords
4JIQ 2.49 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF GLYCEROL TRINITRATE REDUCTASE NERA FROM AGROBACTERIUM RADIOBACTER IN COMPLEX WITH 1-NITRO-2-PHENYLP AGROBACTERIUM TUMEFACIENS TIM-BARREL ENE-REDUCTASE OXIDOREDUCTASE
Ref.: THE STRUCTURE OF GLYCEROL TRINITRATE REDUCTASE NERA AGROBACTERIUM RADIOBACTER REVEALS THE MOLECULAR REA NITRO- AND ENE-REDUCTASE ACTIVITY IN OYE HOMOLOGUES CHEMBIOCHEM V. 14 836 2013
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
DMS A:404;
A:403;
Invalid;
Invalid;
none;
none;
submit data
78.133 C2 H6 O S CS(=O...
1L5 A:402;
Valid;
none;
Kd = 0.73 mM
163.173 C9 H9 N O2 C/C(=...
FMN A:401;
Valid;
none;
submit data
456.344 C17 H21 N4 O9 P Cc1cc...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4JIQ 2.49 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF GLYCEROL TRINITRATE REDUCTASE NERA FROM AGROBACTERIUM RADIOBACTER IN COMPLEX WITH 1-NITRO-2-PHENYLP AGROBACTERIUM TUMEFACIENS TIM-BARREL ENE-REDUCTASE OXIDOREDUCTASE
Ref.: THE STRUCTURE OF GLYCEROL TRINITRATE REDUCTASE NERA AGROBACTERIUM RADIOBACTER REVEALS THE MOLECULAR REA NITRO- AND ENE-REDUCTASE ACTIVITY IN OYE HOMOLOGUES CHEMBIOCHEM V. 14 836 2013
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 383 families.
1 4JIQ Kd = 0.73 mM 1L5 C9 H9 N O2 C/C(=CN(=O....
2 4JIP - HBA C7 H6 O2 c1cc(ccc1C....
3 4JIC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 5N6G - 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 4JIQ Kd = 0.73 mM 1L5 C9 H9 N O2 C/C(=CN(=O....
2 4JIP - HBA C7 H6 O2 c1cc(ccc1C....
3 4JIC - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 5N6G - 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: 1L5; Similar ligands found: 1
No: Ligand ECFP6 Tc MDL keys Tc
1 1L5 1 1
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: 1L5; Similar ligands found: 973
No: Ligand Similarity coefficient
1 YZM 0.9727
2 M6H 0.9683
3 9ZE 0.9667
4 M5E 0.9660
5 PPY 0.9659
6 TCA 0.9617
7 0JD 0.9593
8 1F1 0.9589
9 XDK 0.9570
10 PO6 0.9546
11 0HN 0.9517
12 FK8 0.9515
13 XIZ 0.9513
14 HCI 0.9505
15 HHI 0.9499
16 DHI 0.9499
17 56D 0.9498
18 ESP 0.9489
19 6NT 0.9486
20 AOT 0.9485
21 HIS 0.9477
22 92G 0.9474
23 3A9 0.9474
24 4PN 0.9468
25 61M 0.9464
26 M3H 0.9463
27 15N 0.9459
28 HX4 0.9449
29 428 0.9442
30 ESX 0.9439
31 6FZ 0.9435
32 IWT 0.9427
33 IAC 0.9418
34 5NI 0.9410
35 0HO 0.9410
36 E1T 0.9408
37 795 0.9407
38 PHE 0.9405
39 HFA 0.9404
40 SLS 0.9404
41 S7A 0.9399
42 A3M 0.9398
43 BCU 0.9394
44 7VP 0.9393
45 BNL 0.9393
46 9FE 0.9392
47 NFA 0.9390
48 4LV 0.9390
49 JB8 0.9386
50 JAW 0.9385
51 2ZM 0.9385
52 JDN 0.9385
53 BZ2 0.9384
54 LSQ 0.9381
55 GO2 0.9381
56 0BP 0.9378
57 D3G 0.9377
58 AHN 0.9376
59 4LW 0.9373
60 1VK 0.9370
61 PBA 0.9368
62 N1E 0.9362
63 46P 0.9362
64 TT4 0.9361
65 1A7 0.9359
66 J9N 0.9355
67 A29 0.9354
68 EVF 0.9354
69 BZJ 0.9353
70 DPN 0.9351
71 GOJ 0.9347
72 RJY 0.9344
73 N2I 0.9342
74 HXY 0.9341
75 I1E 0.9340
76 ICB 0.9339
77 SKF 0.9333
78 KTW 0.9330
79 8ZE 0.9329
80 BQ2 0.9328
81 R2P 0.9325
82 5WZ 0.9324
83 36M 0.9323
84 6ZX 0.9322
85 ABI 0.9322
86 MSR 0.9320
87 3LR 0.9315
88 2BG 0.9313
89 6KT 0.9312
90 OOG 0.9311
91 7O4 0.9310
92 AKG 0.9308
93 NIZ 0.9305
94 2HU 0.9303
95 MAJ 0.9302
96 PIY 0.9302
97 ALE 0.9301
98 1BN 0.9296
99 L22 0.9295
100 BNF 0.9293
101 PIM 0.9293
102 A5E 0.9292
103 DE5 0.9290
104 6NI 0.9289
105 RA7 0.9289
106 2O6 0.9288
107 EYV 0.9287
108 HPP 0.9287
109 P81 0.9285
110 S8V 0.9280
111 JF6 0.9277
112 HC4 0.9277
113 3NY 0.9277
114 AHC 0.9277
115 KMY 0.9277
116 R20 0.9276
117 CPZ 0.9275
118 0FK 0.9274
119 PPT 0.9272
120 PRA 0.9272
121 GZ2 0.9269
122 ISZ 0.9266
123 PJW 0.9264
124 4WL 0.9263
125 P80 0.9263
126 4XF 0.9262
127 5XC 0.9260
128 CFI 0.9258
129 268 0.9254
130 ALA ALA 0.9254
131 OGA 0.9249
132 K97 0.9249
133 BHO 0.9249
134 J0Z 0.9248
135 KDV 0.9247
136 M45 0.9244
137 Q02 0.9240
138 S0W 0.9234
139 9CA 0.9233
140 TYE 0.9233
141 MPV 0.9233
142 6TZ 0.9229
143 HDH 0.9227
144 1IT 0.9225
145 0NX 0.9225
146 9FL 0.9224
147 TIH 0.9223
148 36E 0.9221
149 2HC 0.9220
150 CH9 0.9219
151 IOS 0.9219
152 NCT 0.9219
153 4V2 0.9218
154 HL4 0.9217
155 CXP 0.9216
156 4I8 0.9213
157 SHI 0.9212
158 8OZ 0.9212
159 ESI 0.9210
160 S2G 0.9210
161 363 0.9209
162 4P5 0.9204
163 N9J 0.9204
164 LVD 0.9204
165 173 0.9202
166 1X4 0.9201
167 F4E 0.9201
168 HNL 0.9200
169 KDG 0.9199
170 P7Y 0.9198
171 S0E 0.9196
172 GVG 0.9194
173 TYL 0.9192
174 URO 0.9191
175 ENO 0.9191
176 2HG 0.9190
177 MES 0.9187
178 Q04 0.9187
179 GLN 0.9186
180 HQJ 0.9184
181 SNU 0.9182
182 PBN 0.9180
183 J6W 0.9180
184 94W 0.9178
185 S2P 0.9178
186 HA5 0.9177
187 5GT 0.9176
188 XDE 0.9172
189 ODK 0.9171
190 TZF 0.9167
191 3H2 0.9166
192 K7M 0.9165
193 GJP 0.9162
194 DZA 0.9162
195 7MW 0.9160
196 FBM 0.9159
197 2F6 0.9157
198 HIC 0.9155
199 CK2 0.9155
200 TSR 0.9154
201 JOV 0.9154
202 4ZA 0.9153
203 4BL 0.9152
204 DHC 0.9152
205 5XB 0.9150
206 N4B 0.9150
207 KTJ 0.9147
208 3R4 0.9147
209 6HO 0.9146
210 TOH 0.9146
211 XI7 0.9145
212 UNJ 0.9142
213 HNK 0.9141
214 DEW 0.9140
215 27B 0.9138
216 5OB 0.9137
217 L14 0.9136
218 36Y 0.9136
219 TYR 0.9136
220 4NB 0.9135
221 D2G 0.9134
222 EN1 0.9132
223 J9Q 0.9131
224 3VW 0.9130
225 XYH 0.9129
226 N8Y 0.9129
227 GLU 0.9129
228 RNO 0.9129
229 XIY 0.9126
230 KMH 0.9124
231 OTR 0.9123
232 1Z6 0.9122
233 E1P 0.9122
234 F9Y 0.9119
235 1M2 0.9119
236 GVY 0.9118
237 1WC 0.9116
238 JRB 0.9116
239 PFF 0.9116
240 X48 0.9115
241 JND 0.9114
242 PCS 0.9113
243 HHH 0.9112
244 GJZ 0.9112
245 M4E 0.9111
246 CWJ 0.9111
247 A7H 0.9110
248 8HC 0.9110
249 C82 0.9107
250 FF2 0.9107
251 BPY 0.9106
252 HSO 0.9105
253 L5V 0.9102
254 BP7 0.9101
255 X0U 0.9100
256 NYL 0.9100
257 PH3 0.9096
258 LQ2 0.9095
259 HJH 0.9095
260 BZ3 0.9094
261 52C 0.9094
262 4BY 0.9091
263 EXD 0.9091
264 ATX 0.9089
265 P9E 0.9089
266 SNO 0.9087
267 N2M 0.9086
268 45L 0.9086
269 3ZB 0.9086
270 CUW 0.9085
271 C1M 0.9085
272 G14 0.9083
273 Q06 0.9083
274 6L6 0.9082
275 H4E 0.9082
276 HNH 0.9081
277 263 0.9080
278 T2D 0.9078
279 DHY 0.9078
280 3YP 0.9076
281 AZM 0.9074
282 92P 0.9073
283 D8Q 0.9073
284 9R5 0.9073
285 CFA 0.9072
286 PD2 0.9072
287 N2Z 0.9072
288 TMG 0.9071
289 4VY 0.9070
290 8U3 0.9069
291 GT4 0.9068
292 AN3 0.9068
293 MAH 0.9068
294 LPK 0.9065
295 EYJ 0.9065
296 C2Y 0.9063
297 5LA 0.9063
298 3QO 0.9062
299 OW7 0.9062
300 LNR 0.9056
301 B40 0.9056
302 K34 0.9053
303 PNZ 0.9053
304 TZM 0.9051
305 CCU 0.9051
306 ZZA 0.9051
307 GCO 0.9051
308 RUY 0.9050
309 S2T 0.9049
310 BRH 0.9049
311 ICO 0.9049
312 BZQ 0.9048
313 NFM 0.9048
314 EUE 0.9048
315 12T 0.9048
316 97T 0.9047
317 TIU 0.9045
318 30G 0.9045
319 BVA 0.9045
320 CK1 0.9044
321 8WO 0.9044
322 7MU 0.9044
323 V1T 0.9043
324 PRO GLY 0.9042
325 KYA 0.9041
326 069 0.9040
327 EQA 0.9040
328 H42 0.9040
329 MD6 0.9039
330 5RN 0.9038
331 RD4 0.9037
332 YIE 0.9036
333 0W1 0.9035
334 DAH 0.9034
335 2FX 0.9034
336 258 0.9033
337 7UZ 0.9033
338 MMS 0.9033
339 HGA 0.9032
340 XCG 0.9032
341 HL5 0.9031
342 7C3 0.9030
343 DNF 0.9030
344 M78 0.9029
345 AL0 0.9029
346 L99 0.9028
347 FEH 0.9028
348 4JQ 0.9025
349 FHC 0.9023
350 4BX 0.9023
351 PDC 0.9022
352 4BF 0.9022
353 OA1 0.9021
354 SSC 0.9020
355 I3A 0.9020
356 AEG 0.9020
357 4TU 0.9019
358 R9Y 0.9018
359 6J5 0.9017
360 AMQ 0.9017
361 GLO 0.9017
362 ZEC 0.9016
363 11C 0.9016
364 UN1 0.9015
365 APG 0.9013
366 5O6 0.9012
367 KTA 0.9010
368 Q03 0.9009
369 BPN 0.9009
370 SMN 0.9007
371 FBB 0.9007
372 2LY 0.9007
373 4JT 0.9006
374 K2T 0.9004
375 LDP 0.9004
376 ANN 0.9003
377 MR1 0.9003
378 LT1 0.9002
379 M5H 0.9002
380 TSS 0.9002
381 PSJ 0.9002
382 DXG 0.9002
383 0F9 0.8998
384 ARG 0.8998
385 A7N 0.8997
386 COU 0.8996
387 BIK 0.8996
388 8XL 0.8996
389 TZP 0.8995
390 LGT 0.8994
391 FBF 0.8993
392 TB8 0.8993
393 PAC 0.8993
394 PEY 0.8992
395 3VQ 0.8991
396 M2K 0.8991
397 OCH 0.8990
398 FZM 0.8989
399 4Z4 0.8989
400 DGL 0.8989
401 AMH 0.8988
402 YRL 0.8987
403 FUD 0.8987
404 SN4 0.8985
405 4HP 0.8985
406 5LD 0.8983
407 OVM 0.8982
408 SRO 0.8982
409 GWM 0.8982
410 KJU 0.8980
411 4Z3 0.8979
412 IOP 0.8978
413 F9P 0.8978
414 QUS 0.8976
415 2BX 0.8976
416 S7G 0.8975
417 E7S 0.8974
418 K80 0.8972
419 9RW 0.8972
420 KYN 0.8972
421 ODO 0.8972
422 5RO 0.8972
423 27K 0.8970
424 3VX 0.8970
425 5TY 0.8970
426 1HN 0.8969
427 4TB 0.8968
428 3BU 0.8968
429 ES5 0.8968
430 OW4 0.8968
431 JB5 0.8968
432 PHU 0.8968
433 5DL 0.8966
434 MQN 0.8966
435 9BF 0.8965
436 N91 0.8965
437 F06 0.8964
438 M3P 0.8963
439 8G0 0.8962
440 YPN 0.8962
441 X11 0.8961
442 RM1 0.8961
443 2QC 0.8961
444 SHA 0.8960
445 4FS 0.8959
446 5GU 0.8959
447 JG8 0.8959
448 03V 0.8959
449 S7J 0.8959
450 EGR 0.8959
451 41K 0.8957
452 DGN 0.8956
453 2AQ 0.8956
454 F31 0.8956
455 4RU 0.8955
456 717 0.8955
457 M4T 0.8952
458 K4V 0.8952
459 1PS 0.8951
460 E79 0.8951
461 ASC 0.8949
462 F4K 0.8949
463 7OD 0.8948
464 LYS 0.8948
465 92K 0.8947
466 VXX 0.8947
467 8NX 0.8945
468 GNM 0.8944
469 4ZD 0.8944
470 DTY 0.8943
471 5OO 0.8940
472 A5H 0.8939
473 0TU 0.8938
474 2IT 0.8937
475 GGL 0.8937
476 ONR 0.8934
477 RP3 0.8933
478 DHR 0.8933
479 QMP 0.8933
480 3HG 0.8930
481 E5X 0.8930
482 GLR 0.8930
483 264 0.8926
484 4FA 0.8926
485 DIR 0.8925
486 68A 0.8925
487 I3E 0.8925
488 3PF 0.8925
489 OQC 0.8924
490 LLH 0.8924
491 2HQ 0.8924
492 N3W 0.8922
493 E3X 0.8921
494 INO 0.8921
495 SD4 0.8920
496 C53 0.8919
497 ONH 0.8918
498 CS2 0.8918
499 AX3 0.8918
500 LZ5 0.8917
501 9SE 0.8917
502 J9T 0.8915
503 259 0.8915
504 DHB 0.8915
505 49F 0.8915
506 ZYR 0.8915
507 E7Z 0.8914
508 FBJ 0.8913
509 HSX 0.8913
510 CXH 0.8913
511 15E 0.8913
512 TRP 0.8913
513 UA5 0.8909
514 PUE 0.8909
515 7UC 0.8909
516 EWG 0.8907
517 TGX 0.8906
518 5VL 0.8905
519 4BZ 0.8905
520 BVS 0.8905
521 RKV 0.8904
522 492 0.8903
523 TYC 0.8903
524 JZA 0.8902
525 GRO 0.8901
526 PHI 0.8901
527 6QF 0.8901
528 F16 0.8900
529 6FB 0.8899
530 FCD 0.8899
531 DTR 0.8895
532 FDR 0.8894
533 50C 0.8893
534 SYV 0.8893
535 QMS 0.8893
536 LFC 0.8893
537 F90 0.8892
538 SAF 0.8891
539 KW8 0.8891
540 MF3 0.8891
541 QBM 0.8890
542 LEL 0.8889
543 BEA 0.8889
544 B85 0.8889
545 0OL 0.8887
546 3PG 0.8887
547 3XH 0.8887
548 E35 0.8887
549 R9J 0.8887
550 GAE 0.8887
551 D48 0.8886
552 9UL 0.8885
553 PEA 0.8884
554 FOC 0.8884
555 BZE 0.8882
556 ANC 0.8882
557 L03 0.8882
558 XRS 0.8881
559 3QM 0.8881
560 FTV 0.8881
561 93K 0.8881
562 4YO 0.8880
563 4NM 0.8879
564 GUA 0.8878
565 6RQ 0.8876
566 3QV 0.8875
567 TZL 0.8875
568 QY9 0.8875
569 MNN 0.8874
570 RP5 0.8874
571 HHS 0.8872
572 2FY 0.8871
573 ET2 0.8870
574 7BC 0.8870
575 7MX 0.8870
576 MXD 0.8869
577 P9P 0.8868
578 URS 0.8866
579 LL2 0.8865
580 VNL 0.8865
581 5QY 0.8865
582 GZL 0.8863
583 J5I 0.8862
584 LJ3 0.8862
585 PMF 0.8862
586 CSN 0.8861
587 DER 0.8861
588 4NS 0.8860
589 ES2 0.8859
590 8WT 0.8859
591 SB7 0.8858
592 E4P 0.8857
593 M6W 0.8857
594 0OC 0.8856
595 RAT 0.8856
596 TAG 0.8854
597 M4S 0.8854
598 3AE 0.8853
599 BPW 0.8853
600 GRF 0.8852
601 JP2 0.8852
602 DEE 0.8852
603 GO8 0.8850
604 23J 0.8850
605 G3E 0.8849
606 5F8 0.8849
607 4HB 0.8848
608 EQW 0.8847
609 8NB 0.8847
610 ABF 0.8846
611 2K8 0.8844
612 6Q3 0.8844
613 PKU 0.8843
614 L13 0.8843
615 SE2 0.8842
616 NNO 0.8842
617 4FH 0.8841
618 DXP 0.8841
619 DI6 0.8840
620 SOR 0.8840
621 AMR 0.8839
622 8W9 0.8838
623 LL1 0.8837
624 C0H 0.8837
625 QIV 0.8837
626 Y3L 0.8837
627 B1J 0.8836
628 1ZC 0.8835
629 ABV 0.8834
630 FER 0.8834
631 B41 0.8833
632 PH2 0.8833
633 MP5 0.8832
634 N4E 0.8832
635 152 0.8832
636 9FH 0.8832
637 AM4 0.8831
638 OHJ 0.8830
639 9TW 0.8830
640 HG3 0.8830
641 80G 0.8829
642 SG2 0.8828
643 YOF 0.8828
644 78Y 0.8828
645 X6P 0.8828
646 MXN 0.8827
647 IYR 0.8824
648 XBT 0.8822
649 AEF 0.8822
650 M1Z 0.8821
651 5F5 0.8821
652 SQ4 0.8821
653 IHB 0.8819
654 DRG 0.8819
655 FHB 0.8818
656 MHO 0.8818
657 14W 0.8817
658 SSB 0.8817
659 4NZ 0.8817
660 TPA 0.8817
661 KOJ 0.8816
662 2FT 0.8816
663 HHR 0.8815
664 Z70 0.8815
665 AAN 0.8815
666 8GL 0.8813
667 3MF 0.8813
668 MTL 0.8812
669 F98 0.8812
670 4A3 0.8812
671 2KA 0.8810
672 JAH 0.8810
673 657 0.8810
674 CLW 0.8809
675 VM1 0.8808
676 DAL DAL 0.8808
677 M6Z 0.8807
678 HBO 0.8805
679 JCZ 0.8804
680 505 0.8804
681 4FP 0.8804
682 KUF 0.8803
683 SEP 0.8802
684 CHB 0.8802
685 RQD 0.8802
686 GNW 0.8801
687 344 0.8801
688 B62 0.8798
689 DEZ 0.8798
690 M3E 0.8797
691 TTY 0.8796
692 1DJ 0.8796
693 4MU 0.8796
694 XYL 0.8793
695 7Q1 0.8793
696 XRG 0.8793
697 36R 0.8792
698 NAG 0.8790
699 ZYQ 0.8788
700 GF4 0.8788
701 EV2 0.8787
702 LFQ 0.8787
703 CKA 0.8785
704 QSB 0.8784
705 AX7 0.8783
706 4NC 0.8780
707 6VD 0.8780
708 ANF 0.8778
709 4CM 0.8778
710 4TP 0.8777
711 ZBT 0.8776
712 091 0.8775
713 86J 0.8774
714 AA 0.8774
715 RMN 0.8774
716 HPS 0.8772
717 OEG 0.8772
718 11X 0.8772
719 KLE 0.8771
720 IQ5 0.8771
721 A5P 0.8771
722 Z13 0.8769
723 4SX 0.8768
724 W29 0.8768
725 AVI 0.8767
726 ZME 0.8767
727 6MW 0.8766
728 CLU 0.8765
729 FA0 0.8765
730 9RH 0.8765
731 LR5 0.8763
732 1P8 0.8762
733 FOM 0.8762
734 ARP 0.8761
735 Z5P 0.8761
736 NF3 0.8760
737 1FD 0.8759
738 H5B 0.8759
739 UFO 0.8758
740 SYC 0.8758
741 GGB 0.8757
742 ES7 0.8757
743 PLP 0.8757
744 MPK 0.8756
745 2UB 0.8756
746 XHP 0.8756
747 2HO 0.8754
748 NLA 0.8754
749 CCE 0.8754
750 EGV 0.8751
751 HJ7 0.8751
752 GVM 0.8749
753 3HM 0.8749
754 6SD 0.8749
755 KKN 0.8748
756 JF1 0.8747
757 HWD 0.8747
758 3N1 0.8747
759 NVU 0.8746
760 OKG 0.8746
761 49O 0.8745
762 DQU 0.8744
763 MS9 0.8743
764 JLZ 0.8743
765 YTX 0.8742
766 4FF 0.8741
767 HBD 0.8740
768 THA 0.8738
769 AVA 0.8738
770 QME 0.8737
771 DE3 0.8737
772 AJY 0.8735
773 MYJ 0.8734
774 X0V 0.8733
775 7QS 0.8733
776 SWX 0.8732
777 MQB 0.8732
778 OTW 0.8729
779 BSA 0.8729
780 QX4 0.8729
781 0FR 0.8727
782 VGD 0.8726
783 HNM 0.8725
784 SME 0.8725
785 DDU 0.8724
786 DHS 0.8724
787 HNT 0.8723
788 7ZL 0.8723
789 2FQ 0.8723
790 3S5 0.8721
791 3HP 0.8720
792 8CM 0.8720
793 2JJ 0.8719
794 ACA 0.8719
795 JMG 0.8718
796 S7D 0.8718
797 ERZ 0.8717
798 4KL 0.8716
799 EOU 0.8715
800 4M0 0.8715
801 MRW 0.8714
802 GB5 0.8714
803 5WV 0.8713
804 5VM 0.8712
805 BHA 0.8712
806 CIR 0.8710
807 CTL 0.8709
808 42J 0.8708
809 4NP 0.8707
810 MZT 0.8707
811 54X 0.8706
812 44V 0.8706
813 N7I 0.8705
814 SV4 0.8704
815 TJM 0.8704
816 GLY GLY 0.8704
817 I2E 0.8703
818 6ME 0.8703
819 PHB 0.8702
820 1AL 0.8701
821 BHQ 0.8701
822 AMS 0.8700
823 S0D 0.8700
824 JYB 0.8700
825 ILO 0.8700
826 2D2 0.8698
827 AG2 0.8698
828 CXF 0.8697
829 IV2 0.8695
830 AJ2 0.8693
831 NDH 0.8693
832 PZI 0.8692
833 TCR 0.8691
834 13P 0.8690
835 B4O 0.8690
836 DIN 0.8690
837 M1Q 0.8690
838 FQX 0.8690
839 DNA 0.8687
840 SQ7 0.8686
841 FAN 0.8685
842 THU 0.8682
843 AJV 0.8681
844 0VT 0.8680
845 LZM 0.8680
846 CWS 0.8680
847 JTH 0.8679
848 CHH 0.8679
849 EKZ 0.8678
850 C5A 0.8677
851 GPJ 0.8675
852 1P7 0.8675
853 C9E 0.8671
854 J9W 0.8670
855 G3P 0.8670
856 JBZ 0.8668
857 LT2 0.8667
858 FWD 0.8665
859 TU0 0.8665
860 2AK 0.8665
861 0P6 0.8664
862 11S 0.8663
863 P72 0.8662
864 5RP 0.8661
865 PBZ 0.8660
866 DOB 0.8660
867 N2Y 0.8659
868 PAB 0.8658
869 E0O 0.8656
870 G3H 0.8656
871 ISN 0.8653
872 URC 0.8653
873 3VS 0.8651
874 NPO 0.8651
875 4HC 0.8650
876 PFL 0.8647
877 4JC 0.8646
878 FLC 0.8646
879 Q24 0.8645
880 1Y6 0.8645
881 PRZ 0.8645
882 GPF 0.8643
883 MVN 0.8642
884 LMR 0.8642
885 6C5 0.8641
886 IPO 0.8639
887 IL5 0.8639
888 H7Y 0.8639
889 API 0.8639
890 4MB 0.8639
891 NPA 0.8638
892 5FL 0.8638
893 ST3 0.8637
894 M0W 0.8636
895 PLR 0.8635
896 STT 0.8635
897 FA1 0.8634
898 7W4 0.8634
899 PZM 0.8631
900 4LR 0.8631
901 AY4 0.8630
902 IXW 0.8625
903 JGB 0.8625
904 XUL 0.8624
905 JF2 0.8624
906 NNH 0.8624
907 SOJ 0.8623
908 GXG 0.8622
909 A7W 0.8621
910 BSX 0.8621
911 MSL 0.8620
912 AC6 0.8618
913 7ME 0.8618
914 FP1 0.8616
915 7VS 0.8615
916 BDP 0.8615
917 TIA 0.8614
918 TSU 0.8613
919 6J9 0.8611
920 2LP 0.8611
921 0OY 0.8611
922 PGH 0.8610
923 SKM 0.8609
924 6DP 0.8606
925 0XT 0.8606
926 MEV 0.8603
927 NLE 0.8602
928 PMP 0.8601
929 APS 0.8601
930 PRF 0.8600
931 261 0.8599
932 HRM 0.8598
933 2PK 0.8597
934 5MB 0.8593
935 0FN 0.8593
936 TTL 0.8590
937 2AL 0.8589
938 MVH 0.8588
939 4AA 0.8587
940 RBL 0.8585
941 CLZ 0.8585
942 R9S 0.8583
943 9NB 0.8583
944 XM0 0.8581
945 ORN 0.8580
946 DHM 0.8578
947 848 0.8578
948 BZX 0.8578
949 SAN 0.8575
950 4MA 0.8574
951 6ZW 0.8571
952 22F 0.8571
953 2PV 0.8569
954 BY5 0.8569
955 IP8 0.8564
956 5NU 0.8562
957 PQ0 0.8562
958 5CU 0.8560
959 3Z8 0.8555
960 Z82 0.8547
961 EUG 0.8545
962 M0Q 0.8541
963 8H8 0.8540
964 V55 0.8536
965 5NS 0.8529
966 MHN 0.8529
967 MLT 0.8521
968 8TX 0.8517
969 KLS 0.8514
970 4AU 0.8513
971 2EC 0.8510
972 LYL 0.8510
973 S0F 0.8509
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 : 4JIQ; Ligand: 1L5; Similar sites found with APoc: 7
This union binding pocket(no: 1) in the query (biounit: 4jiq.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3B0P FMN 2.57143
2 3B0P FMN 2.57143
3 5OCS FMN 30.7278
4 5OCS FMN 30.7278
5 5OCS FMN 30.7278
6 3HF3 FMN 34.0974
7 3HF3 FMN 34.0974
Pocket No.: 2; Query (leader) PDB : 4JIQ; Ligand: FMN; Similar sites found with APoc: 7
This union binding pocket(no: 2) in the query (biounit: 4jiq.bio1) has 27 residues
No: Leader PDB Ligand Sequence Similarity
1 3B0P FMN 2.57143
2 3B0P FMN 2.57143
3 5OCS FMN 30.7278
4 5OCS FMN 30.7278
5 5OCS FMN 30.7278
6 3HF3 FMN 34.0974
7 3HF3 FMN 34.0974
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