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Receptor
PDB id Resolution Class Description Source Keywords
2UW1 1.95 Å EC: 1.14.99.6 IVY DESATURASE STRUCTURE HEDERA HELIX ELECTRON TRANSFER OXIDOREDUCTASE LIPID SYNTHESIS FATTY ACBIOSYNTHESIS
Ref.: THE CRYSTAL STRUCTURE OF THE IVY {DELTA}4-16:0-ACP DESATURASE REVEALS STRUCTURAL DETAILS OF THE OXIDIZ ACTIVE SITE AND POTENTIAL DETERMINANTS OF REGIOSELE J.BIOL.CHEM. V. 282 19863 2007
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
FE A:1359;
A:1360;
B:1359;
B:1360;
Part of Protein;
Part of Protein;
Part of Protein;
Part of Protein;
none;
none;
none;
none;
submit data
55.845 Fe [Fe+3...
GVM A:1362;
B:1362;
Valid;
Valid;
none;
none;
submit data
160.211 C8 H16 O3 CC(C)...
NA A:1361;
B:1361;
Part of Protein;
Part of Protein;
none;
none;
submit data
22.99 Na [Na+]
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
2UW1 1.95 Å EC: 1.14.99.6 IVY DESATURASE STRUCTURE HEDERA HELIX ELECTRON TRANSFER OXIDOREDUCTASE LIPID SYNTHESIS FATTY ACBIOSYNTHESIS
Ref.: THE CRYSTAL STRUCTURE OF THE IVY {DELTA}4-16:0-ACP DESATURASE REVEALS STRUCTURAL DETAILS OF THE OXIDIZ ACTIVE SITE AND POTENTIAL DETERMINANTS OF REGIOSELE J.BIOL.CHEM. V. 282 19863 2007
Members (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2UW1 - GVM C8 H16 O3 CC(C)(C)C[....
70% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2UW1 - GVM C8 H16 O3 CC(C)(C)C[....
50% Homology Family (1)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 2UW1 - GVM C8 H16 O3 CC(C)(C)C[....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: GVM; Similar ligands found: 4
No: Ligand ECFP6 Tc MDL keys Tc
1 GVM 1 1
2 3HG 0.461538 0.615385
3 3HL 0.444444 0.666667
4 3HR 0.444444 0.666667
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 2UW1; Ligand: GVM; Similar sites found with APoc: 486
This union binding pocket(no: 1) in the query (biounit: 2uw1.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 3L0E G58 None
3 2ALG DAO None
4 2ALG HP6 None
5 3KFC 61X 1.18577
6 4DK7 0KS 1.21457
7 3MBG FAD 1.43885
8 4QWT ACD 1.47929
9 4DJA DLZ 1.47929
10 4DJA FAD 1.47929
11 5ZM0 FAD 1.47929
12 4KCF AKM 1.47929
13 5W3Y IHP 1.47929
14 1MGP PLM 1.59744
15 3O55 FAD 1.6
16 1VPV PLM 1.66667
17 4BQS ADP 1.70455
18 4BQS K2Q 1.70455
19 5NI5 8YB 1.73611
20 5M36 9SZ 1.74672
21 6C7D EOJ 1.77515
22 1FCH TYR GLN SER LYS LEU 1.77515
23 3LOO B4P 1.77515
24 2IYA ZIO 1.77515
25 2J62 GSZ 1.77515
26 5CX8 TG6 1.77515
27 3KC1 2T6 1.78042
28 5APK 76E 1.88679
29 2QA8 GEN 1.93798
30 4MGB XDH 1.96078
31 2BJ4 OHT 1.98413
32 5AAV GW5 1.98413
33 4TV1 36M 1.99203
34 2QE4 JJ3 2.01613
35 4MFZ MFK 2.07101
36 4DHY S41 2.07101
37 3GF4 UPG 2.07101
38 5ZKC 3C0 2.07101
39 1GZ4 ATP 2.07101
40 3GF4 U5P 2.07101
41 5X93 K87 2.07101
42 1EWF PC1 2.07101
43 3R9C ECL 2.07101
44 4O4K 2PK 2.08333
45 1KPG 16A 2.09059
46 5MW4 5JU 2.09581
47 5Y79 3PG 2.12766
48 3HB5 E2B 2.14067
49 5EY0 GTP 2.18978
50 5MTE BB2 2.18978
51 3V49 PK0 2.25564
52 4HIA FMN 2.27273
53 3B12 FAH 2.30263
54 2AX9 BHM 2.34375
55 4EI7 GDP 2.36686
56 5EK3 5PK 2.36686
57 2Z7I 742 2.36686
58 1YKD CMP 2.36686
59 2OBD PCW 2.36686
60 1NP7 FAD 2.36686
61 5G57 6M5 2.36686
62 3RDE OYP 2.36686
63 4V1T ADP 2.36686
64 3LDW ZOL 2.36686
65 5B25 4QJ 2.36686
66 3CHT 4NB 2.38095
67 2HJ3 FAD 2.4
68 4J7Q B7N 2.4024
69 5GUE GGS 2.41692
70 6EKZ SNP 2.43902
71 5LNW HG3 2.53165
72 3SFI 3SF 2.54237
73 5B2E MQG 2.57353
74 5XK9 GST 2.58621
75 5XK9 DMA 2.58621
76 3WQM B29 2.65781
77 6IIU A8X 2.66272
78 4IGH FMN 2.66272
79 4IGH 1EA 2.66272
80 4IGH ORO 2.66272
81 3AHQ FAD 2.66272
82 2E9L PLM 2.66272
83 2E9L OLA 2.66272
84 1E3I CXF 2.66272
85 5EHR 5OD 2.66272
86 3MDV CL6 2.66272
87 2HKJ RDC 2.66272
88 3WCA FPS 2.66272
89 1ZPD CIT 2.66272
90 1SR7 MOF 2.7027
91 3E8T UQ8 2.72727
92 5X5M 7YU 2.77778
93 3QQA TCH 2.77778
94 1LN1 DLP 2.80374
95 5UNJ RJW 2.85714
96 3G58 988 2.95858
97 1XON PIL 2.95858
98 3G4G D71 2.95858
99 4U0S ADP 2.95858
100 2WET FAD 2.95858
101 3ICT COA 2.95858
102 3ICS COA 2.95858
103 2JC9 ADN 2.95858
104 2FDW D3G 2.95858
105 6B2M COA 2.95858
106 1Z3C SA8 3.02013
107 5W7R 9Z7 3.0303
108 2I0G I0G 3.11284
109 1YOK P6L 3.125
110 2E3N 6CM 3.13725
111 1YUC EPH 3.13725
112 5OJY 9XB 3.14961
113 4S1B 2BA 3.15315
114 6F6E PLM 3.16456
115 1M13 HYF 3.16456
116 2PX6 DH9 3.16456
117 3P9T TCL 3.19635
118 2Y7P SAL 3.21101
119 1NHZ 486 3.21429
120 5G5W R8C 3.21429
121 6ARJ BW4 3.25444
122 6ARJ SAH 3.25444
123 2H7C COA 3.25444
124 5C2H 4XU 3.25444
125 5C2H 4PX 3.25444
126 2P1C GG3 3.25444
127 3HR1 PF9 3.25444
128 1W96 S1A 3.25444
129 5LX9 OLB 3.25733
130 1ZDU P3A 3.26531
131 1UVC STE 3.2967
132 4PLT NAI 3.32326
133 5LGA 6VH 3.33333
134 2YJD YJD 3.33333
135 1RQJ RIS 3.34448
136 3Q2H QHF 3.367
137 1AUA BOG 3.37838
138 1JR8 FAD 3.4188
139 5K7H IVC 3.4632
140 4LSJ LSJ 3.48837
141 3T6E MQ9 3.48837
142 3T6E UQ9 3.48837
143 1M2Z DEX 3.50195
144 3BQD DAY 3.52941
145 4P6X HCY 3.52941
146 1UDY CS8 3.5503
147 5IKH 6BW 3.5503
148 4P6W MOF 3.57143
149 4RPO T6C 3.58744
150 4RC8 STE 3.6036
151 3L1N PLM 3.60825
152 5KAX RHQ 3.61446
153 4LH7 NMN 3.71517
154 2ZCQ B65 3.75427
155 5K52 OCD 3.77358
156 3BEJ MUF 3.78151
157 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 3.80952
158 6AD9 KK4 3.83275
159 3F3E LEU 3.84615
160 2ABS ACP 3.84615
161 5CX6 CDP 3.84615
162 6C1R EFD 3.84615
163 4GU5 FAD 3.84615
164 3QKD HI0 3.8674
165 1ZDQ MSM 3.86905
166 4XDA ADP 3.8835
167 2HFP NSI 3.90071
168 2DSA HPX 3.94089
169 2DSA GSH 3.94089
170 4EOX 0S5 3.94089
171 5TIV A3P 3.95257
172 4AIG FLX 3.9801
173 4OIV XX9 3.9823
174 5B4B LP5 4.03226
175 5TWO 7MV 4.04412
176 6GL8 F3Q 4.06977
177 5H94 LYS MET ASN THR GLN PHE THR ALA VAL 4.08163
178 5DRB 5FJ 4.12371
179 5A8E XTK 4.12698
180 4JZX 476 4.14201
181 4OKZ 3E9 4.14201
182 1N1G BCP 4.14201
183 6CAY ERG 4.14201
184 4XRZ SI6 4.14201
185 5N9T 8QQ 4.14201
186 4NS3 NAD 4.14201
187 4DR9 BB2 4.16667
188 4PVV HO4 4.32099
189 3JRS A8S 4.32692
190 5UC9 MYR 4.42478
191 4OPC PGT 4.43787
192 1N20 3AG 4.43787
193 5MBC FMN 4.43787
194 4MFL MFK 4.43787
195 1ZED PNP 4.43787
196 4CDN FAD 4.43787
197 1UOU CMU 4.43787
198 5XJN 88L 4.43787
199 2A1L PCW 4.44444
200 3KDJ A8S 4.45545
201 6F68 GSH 4.47154
202 6F68 4EU 4.47154
203 2PRG BRL 4.54545
204 3PMD 11A 4.57516
205 5MEX SZZ 4.65839
206 5LWY OLA 4.6729
207 1UHK CZN 4.71204
208 3HDY FAD 4.73373
209 3HDY FDA 4.73373
210 3HDY GDU 4.73373
211 2AMV BIN 4.73373
212 1OLM VTQ 4.73373
213 5U9J GER 4.73373
214 6BA2 7KM 4.74576
215 4PGK Y69 4.91803
216 5CXI 5TW 4.92611
217 2WCJ M21 4.96454
218 2IID PHE 5.02959
219 2IID FAD 5.02959
220 2WBP SIN 5.02959
221 2WBP ZZU 5.02959
222 1FO3 KIF 5.02959
223 3HLX PQQ 5.03876
224 3WHB DCC 5.15464
225 3NJQ NJQ 5.18135
226 1POC GEL 5.22388
227 1XMU ROF 5.32544
228 5OHJ 9VE 5.32544
229 1XMY ROL 5.32544
230 3GWT 066 5.32544
231 1XM4 PIL 5.32544
232 4LY9 S6P 5.32544
233 4LY9 1YY 5.32544
234 3RLF MAL 5.32544
235 2BCG GER 5.33981
236 1FK5 OLA 5.37634
237 3NHT U46 5.40541
238 4W97 UCA 5.5
239 5G3N X28 5.51181
240 4OHU NAD 5.53633
241 4OHU 2TK 5.53633
242 6BR8 6OU 5.55556
243 2Q1H AS4 5.6
244 1GNI OLA 5.6213
245 5OLK DTP 5.6213
246 3GWL FAD 5.66038
247 5WZU 7W3 5.69106
248 2J8C SPO 5.69395
249 2J8C U10 5.69395
250 1HG4 LPP 5.73477
251 4OMJ 2TX 5.7554
252 4OAR 2S0 5.81395
253 3EE4 MYR 5.88235
254 1T27 PCW 5.90406
255 4Y9J UCC 5.91716
256 1UBY DMA 5.91716
257 3F5K CE5 5.91716
258 3G5N PB2 5.91716
259 4E2J MOF 6
260 3GN8 DEX 6.0241
261 6AYI C3G 6.03015
262 5UFS 1TA 6.04839
263 5UR6 8KM 6.07735
264 5M37 9SZ 6.08696
265 3N7S 3N7 6.08696
266 5MWE TCE 6.17284
267 2OBF F83 6.22837
268 2OBF SAH 6.22837
269 4BNU 9KQ 6.3197
270 2WKQ FMN 6.3253
271 1T0S BML 6.36364
272 3KRO IPE 6.44068
273 3KRO PPV 6.44068
274 4RPL 3UC 6.50888
275 4GBD MCF 6.50888
276 1HK8 DGT 6.50888
277 4O1Z MXM 6.50888
278 4QDC ASD 6.50888
279 1U3D FAD 6.50888
280 3SDV 911 6.50888
281 5MWY YNU 6.55738
282 5L7G 6QE 6.55738
283 1MID LAP 6.59341
284 1BWO LPC 6.66667
285 2GJ3 FAD 6.66667
286 3KMZ EQO 6.76692
287 6GG9 FMN 6.79012
288 5EEH SAH 6.80473
289 5EEH P9P 6.80473
290 5K7K 6RJ 6.80473
291 2YB9 HA0 6.80473
292 5L44 K26 6.80473
293 1RL4 BL5 6.91489
294 4KBS PX2 6.97674
295 5LXT GDP 7.10059
296 3V66 D3A 7.10059
297 3GQT UFO 7.10059
298 3RMK BML 7.22892
299 2IYG FMN 7.25806
300 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 7.29167
301 3U3U EAH 7.29614
302 3PVT 3HC 7.33591
303 1VHT BA3 7.33945
304 4UDB CV7 7.35294
305 1XVB BHL 7.39645
306 1P1M MET 7.39645
307 4NKW PLO 7.39645
308 1XVB 3BR 7.39645
309 4PFT MAB 7.39645
310 3PE2 E1B 7.4184
311 1YRX FMN 7.43802
312 4NAT ADP 7.5
313 4NB5 2JT 7.60234
314 3QP8 HL0 7.6087
315 2UXI G50 7.61905
316 5V13 JH3 7.63889
317 4RHP PEF 7.65957
318 5N7O 69Y 7.69231
319 1VR0 3SL 7.69231
320 1G27 BB1 7.7381
321 2E2R 2OH 7.78689
322 3UWB BB2 7.79221
323 5W7B MYR 7.80142
324 3RET PYR 7.92079
325 3RET SAL 7.92079
326 1EM6 CP4 7.98817
327 4DS8 A8S 7.98817
328 1OQC FAD 8
329 5A4W QCT 8.01887
330 2QZT PLM 8.10811
331 4WVO 3UZ 8.1571
332 1JQ9 PHE LEU SER TYR LYS 8.26446
333 3NT6 COA 8.28402
334 3NTD COA 8.28402
335 3B9Z CO2 8.28402
336 3RLB VIB 8.33333
337 3TJH SER PRO LEU ASP SER LEU TRP TRP ILE 8.33333
338 4X9X OLA 8.3612
339 5UWA 8ND 8.37438
340 3QCJ NX4 8.3871
341 2GWH PCI 8.38926
342 3I59 N6R 8.43373
343 3OJI PYV 8.46561
344 3W54 RNB 8.51064
345 1GZF NAD 8.53081
346 1YMT DR9 8.53659
347 4QJR PIZ 8.57143
348 6ADI 9UO 8.57988
349 3KP6 SAL 8.60927
350 5JO1 6LM 8.64865
351 1RDT 570 8.67769
352 1RDT L79 8.67769
353 1ZDT PEF 8.71369
354 5TDU PCR 8.73786
355 5CHR 4NC 8.75912
356 3VVY ET 8.76289
357 3GWN FAD 8.77193
358 1YP0 PEF 8.78661
359 1FM9 9CR 8.82353
360 6A5Y 9CR 8.82353
361 1FM9 570 8.82353
362 4RLT FSE 8.84354
363 2ZFZ ARG 8.86076
364 4COL DTP 8.87574
365 1LLF F23 8.87574
366 2YNC YNC 8.87574
367 3PF7 MLA 8.87574
368 6ET8 BWH 9.00901
369 1DKF OLA 9.01288
370 4POJ 2VP 9.09091
371 4M8E 29V 9.09091
372 1X0P FAD 9.09091
373 4IS0 1R4 9.12863
374 1ECM TSA 9.17431
375 3H0A 9RA 9.21053
376 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 9.2437
377 3M6P BB2 9.32642
378 4XU6 TDA 9.52381
379 5HGR 45D 9.53846
380 3E3U NVC 9.64467
381 1P0H ACO 9.74843
382 1P0H COA 9.74843
383 2Q2Y ADP 9.76331
384 2Q2Y MKR 9.76331
385 4KIB SAH 9.76331
386 2HFN FMN 9.80392
387 6BYM HC3 9.85222
388 4KXL 6C6 9.86842
389 4XIZ LPP 10
390 3GZ9 D32 10.0372
391 3LN0 52B 10.0592
392 3ET1 ET1 10.0592
393 3EKK GS2 10.0977
394 3FAL LO2 10.1504
395 3FAL REA 10.1504
396 4NE2 SH2 10.1796
397 3K87 FAD 10.2703
398 5KAU RHQ 10.303
399 5K53 STE 10.3053
400 5HCV 60R 10.5058
401 3DZT EAH 10.5611
402 2A3I C0R 10.6719
403 5ZBL AMP 10.8374
404 5F1R 42O 10.9705
405 4I90 CHT 11.2211
406 4Q86 AMP 11.5385
407 2EV1 OLA 12.1622
408 2GBB CIT 12.1795
409 1ELR ACE MET GLU GLU VAL ASP 12.2137
410 3KV8 FAH 12.2302
411 3KDU NKS 12.2744
412 5DLY 5D7 12.406
413 5DLY SAH 12.406
414 2BYC FMN 12.4088
415 4URX FK1 12.426
416 2Y69 CHD 12.5
417 6BVM EBV 12.5749
418 6BVK EAV 12.5749
419 2NPA MMB 12.5926
420 6EWZ GTP 12.7219
421 4DXJ 0M9 12.7219
422 4PYW ACE THR THR ALA ILE NH2 12.7219
423 3ND6 ATP 12.8655
424 3T58 FAD 13.0178
425 2FP2 TSA 13.253
426 1R6N 434 13.2701
427 2W1A TSA 13.3333
428 4DOL PLM 13.3641
429 5CSD ACD 13.8365
430 4RKK GLC GLC GLC GLC GLC GLC 13.8554
431 2Z6C FMN 13.9535
432 2WH8 II2 14.2012
433 1S17 GNR 14.4444
434 3SP6 IL2 14.497
435 2B96 ANN 15.4472
436 4OIC A8S 15.4589
437 4E70 N7I 15.9763
438 3ZCB ATP 16.129
439 3OKI OKI 16.309
440 5W97 CHD 16.9492
441 5Z84 CHD 16.9492
442 5ZCO PEK 16.9492
443 5Z84 PEK 16.9492
444 2DYR PEK 16.9492
445 2DYS PEK 16.9492
446 5ZCO CHD 16.9492
447 5ZCO PGV 16.9492
448 2DYS TGL 16.9492
449 2DYR TGL 16.9492
450 3D78 NBB 17.6471
451 4OGQ UMQ 17.6471
452 4OGQ 7PH 17.6471
453 4OGQ 3WM 17.6471
454 4F7E 0SH 18.3673
455 3L9R L9R 18.3673
456 3L9R L9Q 18.3673
457 4EKQ NPO 19.2513
458 5UC1 486 19.8198
459 3TL1 JRO 20.1258
460 4LA7 A1O 20.7254
461 4JE7 BB2 20.8122
462 5JNN 6LM 21.0526
463 3NMV PYV 22.4719
464 5LGD PLM 22.905
465 2VBQ BSJ 26.0606
466 5N8V KZZ 27.5362
467 4X6F 3XU 30.4762
468 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 32
469 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 32
470 4WO4 JLS 32
471 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 32
472 3QDJ ALA ALA GLY ILE GLY ILE LEU THR VAL 32
473 3HUJ AGH 32.3232
474 5U98 1KX 32.3232
475 6BJ3 ILE PRO LEU THR GLU GLU ALA GLU LEU 32.3232
476 5T70 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 32.3232
477 5C9J STE 32.3232
478 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 32.6531
479 5ISZ GLY ILE LEU GLY PHE VAL PHE THR LEU 32.6531
480 1LEK GLU GLN TYR LYS PHE TYR SER VAL 33.3333
481 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 33.3333
482 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 34
483 3RUG DB6 34.3434
484 3G08 FEE 34.3434
485 3SCM LGN 34.3434
486 3QUZ QUV 34.3434
Pocket No.: 2; Query (leader) PDB : 2UW1; Ligand: GVM; Similar sites found with APoc: 40
This union binding pocket(no: 2) in the query (biounit: 2uw1.bio1) has 12 residues
No: Leader PDB Ligand Sequence Similarity
1 1ATL 0QI 1.9802
2 5KOR GDP 2.07101
3 2YPO PHE 2.36686
4 1A27 EST 2.42215
5 4WKI 3PW 2.55319
6 4Q6R 30J 2.66272
7 4UA3 COA 3.60825
8 3ET3 ET1 3.76712
9 1G2N EPH 3.78788
10 3CV9 VDX 3.84615
11 3T03 3T0 3.87324
12 3G9E RO7 4.05904
13 6GBV FMN 4.10959
14 3OTX AP5 4.14201
15 1JGS SAL 4.34783
16 4OPC FDA 4.43787
17 1QV1 CZH 4.61538
18 5V3Y 5V8 5.24476
19 4R38 RBF 5.71429
20 5H41 BGC GLC 5.91716
21 4RPL FAD 6.50888
22 4L1F COS 7.10059
23 2AIB ERG 7.14286
24 2V58 LZJ 7.39645
25 5Y6Q FAD 7.40741
26 3P0K FAD 7.89474
27 5CYV WCA 8.21918
28 4ZBR NPS 8.28402
29 4ZBR DIF 8.28402
30 4W4S B29 8.33333
31 3KPX CZH 8.58586
32 1H9G COA MYR 11.5226
33 4DXJ IPE 12.7219
34 3E2M E2M 13.5135
35 1K7L 544 14.497
36 5N69 2OW 16.8639
37 5Z84 PGV 16.9492
38 2DYR PGV 16.9492
39 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 32
40 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 33.3333
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