Receptor
PDB id Resolution Class Description Source Keywords
2A7P 2.2 Å EC: 1.1.99.31 CRYSTAL STRUCTURE OF THE G81A MUTANT OF THE ACTIVE CHIMERA O MANDELATE DEHYDROGENASE IN COMPLEX WITH ITS SUBSTRATE 3-IND PSEUDOMONAS PUTIDA, SPINACIA OLERACEA TIM BARREL HYDROXY ACID OXIDIZING ENZYME OXIDOREDUCTASE
Ref.: STRUCTURES OF THE G81A MUTANT FORM OF THE ACTIVE CH (S)-MANDELATE DEHYDROGENASE AND ITS COMPLEX WITH TW SUBSTRATES. ACTA CRYSTALLOGR.,SECT.D V. 65 543 2009
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
3IL A:410;
 Valid;
 none;
 submit data
205.21 C11 H11 N O3 c1ccc...
FMN A:390;
 Valid;
 none;
 submit data
456.344 C17 H21 N4 O9 P Cc1cc...
MES A:890;
 Invalid;
 none;
 submit data
195.237 C6 H13 N O4 S C1COC...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1P4C 1.35 Å EC: 1.1.99.31 HIGH RESOLUTION STRUCTURE OF OXIDIZED ACTIVE MUTANT OF (S)-M DEHYDROGENASE PSEUDOMONAS PUTIDA, SPINACIA OLERACEA TIM BARREL HYDROXY ACID OXIDIZING ENZYME OXIDOREDUCTASE
Ref.: HIGH RESOLUTION STRUCTURES OF AN OXIDIZED AND REDUC FLAVOPROTEIN: THE WATER SWITCH IN A SOLUBLE FORM OF (S)-MANDELATE DEHYDROGENASE J.BIOL.CHEM. V. 279 3749 2004
Members (7)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 2 families.
1 1P5B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2A7N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1HUV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 2A85 - HOC C8 H16 O3 CCCCCC[C@@....
5 3GIY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1P4C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 2A7P - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
70% Homology Family (8)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 1P5B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 2A7N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 1HUV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 2A85 - HOC C8 H16 O3 CCCCCC[C@@....
5 3GIY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 1P4C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 2A7P - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
8 6BFG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
50% Homology Family (55)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 6R9V - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
2 6RHT - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
3 6A0V - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
4 5ZZX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
5 6A19 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
6 6A1A - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
7 6A1H - 9O9 C18 H22 N3 O9 P Cc1cc2c(cc....
8 5ZZZ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
9 5ZZS - BEZ C7 H6 O2 c1ccc(cc1)....
10 6A0M - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
11 6A21 - 9OR C20 H25 N4 O12 P Cc1cc2c(cc....
12 6A0G - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
13 6A1M - 9O9 C18 H22 N3 O9 P Cc1cc2c(cc....
14 6A0O - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
15 6A1R - 9OC C25 H29 N4 O10 P Cc1cc2c(cc....
16 6A13 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
17 5ZZP - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
18 6A0Y - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
19 6A23 - 173 C8 H6 O3 c1ccc(cc1)....
20 5ZZR - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
21 6A0D - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
22 6A1L - BEZ C7 H6 O2 c1ccc(cc1)....
23 6A08 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
24 5ZZY - 2OP C3 H6 O3 C[C@@H](C(....
25 5ZZQ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
26 6A1P - 9O9 C18 H22 N3 O9 P Cc1cc2c(cc....
27 6A11 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
28 6A00 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
29 1AL8 Ki = 4.8 uM DHP C14 H23 N O3 CCCCCCCCCC....
30 1GOX - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
31 3SGZ - HO6 C10 H8 N2 O2 S2 Cc1ccc(cc1....
32 1TB3 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
33 1P5B - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
34 2A7N - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
35 1HUV - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
36 2A85 - HOC C8 H16 O3 CCCCCC[C@@....
37 3GIY - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
38 1P4C - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
39 2A7P - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
40 1KBI - PYR C3 H4 O3 CC(=O)C(=O....
41 1FCB - PYR C3 H4 O3 CC(=O)C(=O....
42 6DVI - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
43 6DVH - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
44 6BFG - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
45 2RDW - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
46 2RDT Ki ~ 15 nM 2RD C15 H27 N3 O2 S CCCCCCCCCC....
47 2RDU - GLV C2 H2 O3 C(=O)C(=O)....
48 2J6X - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
49 4YL2 - PYR C3 H4 O3 CC(=O)C(=O....
50 2DU2 - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
51 2E77 - PYR C3 H4 O3 CC(=O)C(=O....
52 2ZFA - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
53 4RJE - FNR C17 H23 N4 O9 P Cc1cc2c(cc....
54 2NLI - LAC C3 H6 O3 C[C@H](C(=....
55 1KBJ - FMN C17 H21 N4 O9 P Cc1cc2c(cc....
Polypharmacology
Similar Ligands (2D)
Ligand no: 1; Ligand: 3IL; Similar ligands found: 19
No: Ligand ECFP6 Tc MDL keys Tc
1 4Z9 1 1
2 3IL 1 1
3 DTR 0.666667 0.75
4 TRP 0.666667 0.75
5 IAC 0.54902 0.870968
6 R59 0.546875 0.622222
7 R38 0.546875 0.622222
8 TR7 0.534483 0.625
9 IOP 0.528302 0.84375
10 TSR 0.509804 0.605263
11 3IB 0.5 0.818182
12 ITW 0.5 0.714286
13 TRP GLY 0.484375 0.608696
14 ZIQ 0.474576 0.658537
15 IAD 0.46875 0.674419
16 IAV 0.46875 0.674419
17 IAG 0.466667 0.674419
18 9BF 0.464286 0.628571
19 C5Q 0.408451 0.651163
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: 3IL; Similar ligands found: 732
No: Ligand Similarity coefficient
1 LTN 0.9880
2 96Z 0.9762
3 C0W 0.9716
4 EXR 0.9680
5 4OG 0.9675
6 ALN 0.9648
7 CTE 0.9641
8 EXL 0.9602
9 3SU 0.9598
10 FT6 0.9592
11 FWD 0.9574
12 RVE 0.9520
13 CWD 0.9516
14 2UD 0.9504
15 MMS 0.9500
16 0FR 0.9500
17 XI7 0.9493
18 BWD 0.9482
19 NWD 0.9466
20 DAH 0.9464
21 IOS 0.9458
22 78U 0.9454
23 9F8 0.9453
24 VM1 0.9441
25 NIY 0.9435
26 TMG 0.9430
27 XCG 0.9423
28 IWD 0.9418
29 HWH 0.9417
30 C4E 0.9413
31 I2E 0.9410
32 5WN 0.9385
33 5E5 0.9381
34 5V7 0.9369
35 YOF 0.9368
36 NVU 0.9363
37 BB4 0.9353
38 B41 0.9338
39 ZON 0.9333
40 X48 0.9332
41 DHC 0.9332
42 ASE 0.9326
43 5F8 0.9323
44 LL1 0.9322
45 DTE 0.9321
46 NAL 0.9320
47 TOH 0.9314
48 G14 0.9311
49 3D8 0.9310
50 3VW 0.9310
51 MJ5 0.9308
52 0SY 0.9307
53 2GQ 0.9307
54 M3Q 0.9307
55 2LT 0.9303
56 AZY 0.9303
57 FPL 0.9293
58 BQ2 0.9284
59 MQB 0.9278
60 AVA 0.9271
61 5AD 0.9268
62 4GU 0.9265
63 EXG 0.9265
64 XEN 0.9265
65 9UL 0.9261
66 IYR 0.9255
67 3D1 0.9251
68 Q5M 0.9250
69 5TO 0.9240
70 3EB 0.9240
71 B5A 0.9239
72 BY5 0.9238
73 11X 0.9228
74 FNA 0.9225
75 8D6 0.9217
76 AMR 0.9217
77 GO2 0.9214
78 363 0.9210
79 SLY 0.9208
80 0GA 0.9195
81 BIO 0.9193
82 HWD 0.9191
83 DXK 0.9189
84 LEL 0.9185
85 H4B 0.9181
86 4I8 0.9179
87 6C8 0.9178
88 CH8 0.9176
89 0DF 0.9176
90 5FL 0.9175
91 4Z1 0.9173
92 4FF 0.9171
93 H7S 0.9170
94 RSV 0.9167
95 KYN 0.9164
96 HH6 0.9161
97 PIQ 0.9161
98 7L4 0.9160
99 LLG 0.9160
100 LR2 0.9159
101 CGW 0.9155
102 QUB 0.9148
103 FER 0.9148
104 VJJ 0.9146
105 6FG 0.9145
106 KP2 0.9143
107 3B4 0.9137
108 6HP 0.9137
109 0UL 0.9135
110 M02 0.9134
111 ODK 0.9133
112 HLP 0.9130
113 EQA 0.9129
114 TYR 0.9127
115 ENO 0.9127
116 TSS 0.9126
117 GXG 0.9124
118 PVQ 0.9121
119 PW1 0.9120
120 ARP 0.9116
121 7AP 0.9115
122 OUB 0.9113
123 PVK 0.9113
124 C2Y 0.9112
125 22L 0.9109
126 THM 0.9108
127 M5H 0.9105
128 6J9 0.9103
129 H35 0.9103
130 MD6 0.9103
131 MXD 0.9099
132 NFZ 0.9094
133 6C9 0.9094
134 5F5 0.9092
135 SYE 0.9091
136 QMS 0.9090
137 MP5 0.9089
138 F52 0.9088
139 RCM 0.9088
140 CC5 0.9086
141 0OL 0.9084
142 4EU 0.9082
143 QUS 0.9081
144 1Q4 0.9080
145 CPW 0.9078
146 9B3 0.9077
147 X04 0.9077
148 4AU 0.9076
149 4WF 0.9075
150 XDK 0.9074
151 DTY 0.9074
152 1AJ 0.9073
153 AC2 0.9072
154 JYW 0.9070
155 EYJ 0.9069
156 NPA 0.9067
157 TZM 0.9066
158 6C5 0.9066
159 GZV 0.9065
160 IQQ 0.9064
161 5OO 0.9063
162 EVO 0.9063
163 848 0.9062
164 SRO 0.9059
165 0OK 0.9056
166 MDR 0.9055
167 FCD 0.9055
168 JXK 0.9054
169 F5C 0.9053
170 JCZ 0.9052
171 R9G 0.9052
172 S7D 0.9051
173 AVO 0.9050
174 WVV 0.9049
175 2QU 0.9047
176 657 0.9045
177 G6P 0.9044
178 AUV 0.9043
179 KF5 0.9041
180 KWB 0.9040
181 LRW 0.9039
182 B23 0.9038
183 P93 0.9038
184 CX4 0.9038
185 7VY 0.9037
186 EV2 0.9034
187 P80 0.9032
188 PYU 0.9031
189 ZEZ 0.9031
190 JYT 0.9030
191 14W 0.9030
192 69K 0.9029
193 CIY 0.9027
194 X2M 0.9025
195 9FH 0.9024
196 6DP 0.9021
197 QH3 0.9020
198 PHE 0.9020
199 PLP 0.9018
200 3AK 0.9017
201 1FE 0.9016
202 BZQ 0.9016
203 L5D 0.9015
204 OSB 0.9014
205 YE7 0.9013
206 ET0 0.9011
207 2PV 0.9010
208 PFF 0.9009
209 N7I 0.9009
210 DHY 0.9009
211 5VU 0.9008
212 F40 0.9008
213 JHY 0.9007
214 2JX 0.9006
215 PMP 0.9006
216 39Z 0.9004
217 DBS 0.9004
218 P4L 0.9004
219 GXD 0.9003
220 54F 0.9003
221 YE6 0.9001
222 ALE 0.9001
223 Q4G 0.8999
224 CUT 0.8999
225 61M 0.8997
226 HJH 0.8997
227 89J 0.8997
228 6J5 0.8996
229 67Y 0.8996
230 2UB 0.8994
231 ABF 0.8994
232 A73 0.8993
233 3WN 0.8993
234 3WO 0.8993
235 TI7 0.8992
236 JXT 0.8992
237 EWG 0.8992
238 TLM 0.8992
239 ZRK 0.8991
240 BBY 0.8991
241 5ER 0.8991
242 SSY 0.8990
243 XYP XIF 0.8990
244 FTV 0.8988
245 8RK 0.8988
246 VYM 0.8988
247 FMQ 0.8987
248 TRF 0.8986
249 ZIP 0.8985
250 A9B 0.8981
251 CLU 0.8981
252 HC4 0.8980
253 AX8 0.8980
254 3Y7 0.8980
255 MIL 0.8979
256 ZEA 0.8979
257 2P3 0.8979
258 5P3 0.8979
259 EV3 0.8978
260 0OY 0.8978
261 I59 0.8977
262 4FE 0.8977
263 6L6 0.8976
264 GJK 0.8976
265 YF3 0.8976
266 RDV 0.8976
267 XIF XYP 0.8975
268 1QV 0.8972
269 PQT 0.8972
270 2KU 0.8972
271 ARJ 0.8969
272 1V1 0.8969
273 FF2 0.8968
274 7QS 0.8967
275 EMU 0.8967
276 S0F 0.8967
277 XFE 0.8966
278 7ZL 0.8964
279 12R 0.8964
280 4LW 0.8963
281 8U3 0.8963
282 AJD 0.8961
283 X6P 0.8960
284 ADN 0.8960
285 IM4 0.8959
286 092 0.8958
287 TCC 0.8958
288 K80 0.8956
289 DPN 0.8956
290 EUH 0.8954
291 C53 0.8954
292 BPY 0.8953
293 C82 0.8951
294 N1E 0.8951
295 F06 0.8951
296 MJW 0.8951
297 FCW 0.8950
298 7MX 0.8950
299 KLS 0.8949
300 5F1 0.8948
301 8GK 0.8945
302 6DQ 0.8944
303 CMU 0.8944
304 9JT 0.8944
305 HX8 0.8943
306 JYK 0.8942
307 790 0.8942
308 PPY 0.8942
309 5H6 0.8941
310 HA6 0.8941
311 LSQ 0.8941
312 AOY 0.8941
313 GO8 0.8940
314 4G2 0.8940
315 1PS 0.8938
316 Q0K 0.8936
317 1OH 0.8936
318 APS 0.8936
319 D1Y 0.8934
320 WLH 0.8933
321 42R 0.8932
322 CFA 0.8932
323 II4 0.8932
324 5B2 0.8930
325 SBK 0.8930
326 TCL 0.8930
327 57O 0.8929
328 5I5 0.8929
329 4MP 0.8928
330 EYY 0.8928
331 33S 0.8927
332 5JT 0.8926
333 TCR 0.8926
334 HSX 0.8926
335 WA2 0.8924
336 S3C 0.8924
337 1QP 0.8922
338 7I2 0.8921
339 HHV 0.8921
340 2D2 0.8921
341 P7Y 0.8921
342 30G 0.8920
343 JFS 0.8919
344 BZM 0.8919
345 BZE 0.8917
346 MOK 0.8917
347 3C4 0.8917
348 6MW 0.8917
349 DCN 0.8915
350 272 0.8915
351 C0H 0.8915
352 LJ4 0.8914
353 8OB 0.8914
354 WCU 0.8913
355 B4O 0.8913
356 ML1 0.8912
357 S1D 0.8912
358 BK9 0.8912
359 3IP 0.8912
360 GNW 0.8911
361 2FD 0.8911
362 54X 0.8909
363 1BW 0.8908
364 YIH 0.8908
365 CSN 0.8908
366 AM1 0.8907
367 0LH 0.8907
368 536 0.8907
369 GA2 0.8905
370 20D 0.8905
371 BG6 0.8904
372 U7E 0.8901
373 50C 0.8899
374 JR2 0.8899
375 5O5 0.8899
376 DBE 0.8899
377 3L1 0.8895
378 4R1 0.8895
379 AKD 0.8895
380 PF1 0.8892
381 YTX 0.8892
382 JF5 0.8892
383 DFL 0.8891
384 3VQ 0.8891
385 4GP 0.8890
386 NKI 0.8890
387 M6P 0.8890
388 TJM 0.8889
389 25F 0.8888
390 3QO 0.8887
391 AVX 0.8886
392 3GX 0.8885
393 A6P 0.8885
394 B2Y 0.8885
395 PLR 0.8884
396 D3G 0.8883
397 BC3 0.8883
398 XQI 0.8882
399 JSX 0.8881
400 TXW 0.8879
401 BP3 0.8879
402 FHV 0.8879
403 1V4 0.8878
404 RNK 0.8876
405 X11 0.8876
406 5MD 0.8875
407 BGP 0.8875
408 PXP 0.8875
409 TYC 0.8873
410 HVE 0.8872
411 STT 0.8872
412 NFM 0.8871
413 LI7 0.8871
414 M01 0.8871
415 8MP 0.8870
416 X0T 0.8869
417 28S 0.8869
418 A4V 0.8869
419 HPT 0.8868
420 4NR 0.8867
421 5E4 0.8866
422 2OH 0.8865
423 MW5 0.8864
424 JA3 0.8864
425 L21 0.8863
426 FUZ 0.8862
427 F1X 0.8861
428 DI6 0.8861
429 TB8 0.8860
430 3WK 0.8860
431 AYS 0.8860
432 ACE TRP 0.8860
433 9CE 0.8860
434 GLP 0.8859
435 8OE 0.8858
436 PE2 0.8858
437 5NN 0.8857
438 ZME 0.8856
439 6HX 0.8855
440 ENG 0.8855
441 JGB 0.8855
442 OA1 0.8854
443 1V3 0.8854
444 Z70 0.8854
445 4FP 0.8851
446 7O4 0.8851
447 MPU 0.8851
448 5C1 0.8851
449 BRH 0.8851
450 92O 0.8850
451 ZZA 0.8849
452 2LX 0.8847
453 0XR 0.8846
454 CHQ 0.8846
455 CCV 0.8843
456 LP8 0.8842
457 7ZC 0.8842
458 TU0 0.8842
459 LVP 0.8842
460 O2Y 0.8841
461 E9S 0.8839
462 EYM 0.8838
463 CUH 0.8837
464 0LO 0.8836
465 6NJ 0.8835
466 ONZ 0.8835
467 CR1 0.8834
468 E0O 0.8834
469 EGR 0.8833
470 IQW 0.8832
471 5WM 0.8830
472 MEX 0.8829
473 NQ7 0.8829
474 M5E 0.8829
475 EAT 0.8825
476 S0G 0.8825
477 THU 0.8824
478 N1Y 0.8824
479 BSA 0.8824
480 W8G 0.8823
481 FB4 0.8822
482 AP6 0.8822
483 GZ2 0.8822
484 L1T 0.8820
485 5AE 0.8820
486 A6H 0.8818
487 BHS 0.8818
488 RD4 0.8814
489 L12 0.8808
490 NK5 0.8807
491 JXQ 0.8807
492 5WU 0.8807
493 4BF 0.8806
494 1ER 0.8806
495 0A1 0.8806
496 60L 0.8805
497 LL2 0.8805
498 AMQ 0.8805
499 MFZ 0.8804
500 E9P 0.8804
501 D8Q 0.8804
502 D2G 0.8802
503 4ZF 0.8802
504 833 0.8799
505 JPQ 0.8799
506 DIH 0.8799
507 27M 0.8799
508 1BN 0.8798
509 NFA 0.8798
510 49P 0.8798
511 CUQ 0.8798
512 C9M 0.8797
513 PRO GLY 0.8794
514 TOM 0.8792
515 EN1 0.8791
516 2N0 0.8790
517 9E3 0.8789
518 D1G 0.8786
519 ETV 0.8784
520 0OO 0.8783
521 MPP 0.8783
522 3WJ 0.8782
523 DCF 0.8781
524 XDE 0.8781
525 KCH 0.8781
526 KPV 0.8781
527 C9E 0.8781
528 DE7 0.8780
529 7R4 0.8780
530 P2L 0.8778
531 J9Y 0.8774
532 263 0.8772
533 MFR 0.8771
534 HFA 0.8771
535 1SF 0.8771
536 108 0.8771
537 4K2 0.8768
538 S7G 0.8768
539 QTS 0.8767
540 TYE 0.8767
541 NFK 0.8766
542 ZYV 0.8764
543 TIA 0.8764
544 2J5 0.8763
545 2HC 0.8762
546 PTB 0.8762
547 OIA 0.8761
548 LI4 0.8760
549 IDZ 0.8759
550 GC2 0.8758
551 M3W 0.8757
552 SQV 0.8756
553 NEU 0.8755
554 3LJ 0.8753
555 55D 0.8753
556 9GP 0.8752
557 2LY 0.8750
558 6Q3 0.8749
559 EAJ 0.8749
560 LVD 0.8749
561 N2Y 0.8748
562 AOJ 0.8748
563 C4F 0.8748
564 JY2 0.8748
565 EQW 0.8747
566 5RP 0.8746
567 HF2 0.8746
568 NAG 0.8745
569 WL3 0.8744
570 2DL 0.8744
571 MUX 0.8744
572 PZP 0.8743
573 AED 0.8743
574 CDY 0.8742
575 NCV 0.8741
576 URI 0.8739
577 F90 0.8739
578 N9J 0.8738
579 1ZC 0.8738
580 V2Z 0.8738
581 S8D 0.8737
582 HL4 0.8736
583 9VQ 0.8733
584 A51 0.8732
585 6XC 0.8731
586 H48 0.8731
587 SB7 0.8730
588 CDJ 0.8728
589 STV 0.8727
590 LGT 0.8726
591 TQU 0.8725
592 A7K 0.8724
593 6J3 0.8723
594 OX2 0.8721
595 M6D 0.8721
596 IBC 0.8721
597 SOJ 0.8720
598 B61 0.8720
599 52F 0.8719
600 A8K 0.8718
601 51Y 0.8718
602 MBP 0.8718
603 56D 0.8716
604 ELH 0.8715
605 DDC 0.8715
606 JD7 0.8714
607 K48 0.8713
608 AHL 0.8712
609 TLG 0.8711
610 OW7 0.8711
611 26C 0.8710
612 NXB 0.8709
613 RGK 0.8708
614 HXY 0.8708
615 2VQ 0.8708
616 7VF 0.8708
617 UKV 0.8707
618 57D 0.8707
619 4ZD 0.8706
620 M4E 0.8703
621 NBV 0.8703
622 S0I 0.8703
623 36M 0.8703
624 BVS 0.8702
625 GB4 0.8702
626 ZRL 0.8701
627 NTF 0.8700
628 NEO 0.8700
629 LTT 0.8700
630 F6P 0.8699
631 M9N 0.8698
632 S24 0.8696
633 FXH 0.8692
634 SZ5 0.8692
635 78P 0.8691
636 3F4 0.8690
637 GHQ 0.8690
638 28A 0.8690
639 8UY 0.8689
640 ML2 0.8683
641 9W5 0.8683
642 3TC 0.8683
643 4YZ 0.8683
644 6PB 0.8678
645 LDP 0.8678
646 BL0 0.8677
647 ISA 0.8676
648 JOV 0.8675
649 PHI 0.8674
650 A6W 0.8674
651 ZZ2 0.8672
652 4XF 0.8669
653 KW7 0.8668
654 VBC 0.8668
655 0QW 0.8666
656 D6G 0.8666
657 R4E 0.8665
658 KED 0.8665
659 XEV 0.8664
660 NPL 0.8664
661 3XH 0.8663
662 LFQ 0.8663
663 A4G 0.8661
664 977 0.8661
665 QJA 0.8661
666 HMZ 0.8661
667 HIC 0.8660
668 YO5 0.8658
669 FWB 0.8657
670 S46 0.8657
671 6GP 0.8657
672 327 0.8655
673 S0W 0.8655
674 CG8 0.8654
675 P0P 0.8653
676 B2T 0.8650
677 79W 0.8647
678 LWS 0.8644
679 8DA 0.8643
680 QIF 0.8638
681 ZYW 0.8636
682 0A9 0.8635
683 BDJ 0.8635
684 R9J 0.8632
685 GLR 0.8630
686 W23 0.8627
687 5WS 0.8626
688 EYA 0.8625
689 H4E 0.8624
690 26P 0.8618
691 KLE 0.8618
692 ERZ 0.8612
693 NBG 0.8611
694 PMM 0.8604
695 TQL 0.8604
696 STZ 0.8604
697 RE4 0.8600
698 NIR 0.8596
699 SCT 0.8594
700 A7Q 0.8591
701 5BX 0.8587
702 GC3 0.8586
703 B0K 0.8585
704 VT3 0.8584
705 E35 0.8583
706 TL6 0.8582
707 S2P 0.8581
708 M6Z 0.8580
709 505 0.8575
710 AY4 0.8572
711 H2W 0.8567
712 H7Y 0.8566
713 YX1 0.8565
714 6NZ 0.8563
715 AEH 0.8561
716 34L 0.8561
717 KFN 0.8559
718 M2E 0.8555
719 7PJ 0.8552
720 2GD 0.8552
721 FHI 0.8549
722 P9I 0.8547
723 W8L 0.8543
724 XYP XDN 0.8537
725 7M5 0.8532
726 IM5 0.8529
727 8Y7 0.8526
728 CJZ 0.8524
729 U4J 0.8520
730 X29 0.8519
731 L07 0.8518
732 WDW 0.8511
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 : 1P4C; Ligand: FMN; 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: 1p4c.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 2; Query (leader) PDB : 1P4C; Ligand: FMN; 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: 1p4c.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 3; Query (leader) PDB : 1P4C; Ligand: FMN; 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: 1p4c.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
Pocket No.: 4; Query (leader) PDB : 1P4C; Ligand: FMN; 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: 1p4c.bio1) has 33 residues
No: Leader PDB Ligand Sequence Similarity
APoc FAQ
Feedback