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Receptor
PDB id Resolution Class Description Source Keywords
4RC8 1.71 Å EC: 4.1.99.5 CRYSTAL STRUCTURE OF CYANOBACTERIAL ALDEHYDE-DEFORMYLATING O BOUND WITH FATTY ACID SYNECHOCOCCUS ELONGATUS PCC 7942 OXYGENASE LYASE
Ref.: STRUCTURAL INSIGHTS INTO THE CATALYTIC MECHANISM OF ALDEHYDE-DEFORMYLATING OXYGENASES PROTEIN CELL 2014
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
STE A:301;
Valid;
none;
submit data
284.477 C18 H36 O2 CCCCC...
FE A:303;
A:302;
Part of Protein;
Part of Protein;
none;
none;
submit data
55.845 Fe [Fe+3...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
4RC8 1.71 Å EC: 4.1.99.5 CRYSTAL STRUCTURE OF CYANOBACTERIAL ALDEHYDE-DEFORMYLATING O BOUND WITH FATTY ACID SYNECHOCOCCUS ELONGATUS PCC 7942 OXYGENASE LYASE
Ref.: STRUCTURAL INSIGHTS INTO THE CATALYTIC MECHANISM OF ALDEHYDE-DEFORMYLATING OXYGENASES PROTEIN CELL 2014
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 3 families.
1 4RC7 - PL3 C16 H34 O CCCCCCCCCC....
2 4QUW - PL3 C16 H34 O CCCCCCCCCC....
3 4RC5 - PL3 C16 H34 O CCCCCCCCCC....
4 4RC8 - STE C18 H36 O2 CCCCCCCCCC....
70% Homology Family (12)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4PG1 - Y39 C13 H24 O2 CCCCCCCCC[....
2 4PGK - Y69 C17 H34 O4 CCOCCOCCOC....
3 4PGI - Y69 C17 H34 O4 CCOCCOCCOC....
4 4TW3 - STE C18 H36 O2 CCCCCCCCCC....
5 4PG0 - Y39 C13 H24 O2 CCCCCCCCC[....
6 4KVS - 6NA C6 H12 O2 CCCCCC(=O)....
7 4KVQ - PLM C16 H32 O2 CCCCCCCCCC....
8 4KVR - 6NA C6 H12 O2 CCCCCC(=O)....
9 4QUW - PL3 C16 H34 O CCCCCCCCCC....
10 4RC5 - PL3 C16 H34 O CCCCCCCCCC....
11 4RC8 - STE C18 H36 O2 CCCCCCCCCC....
12 5K52 - OCD C18 H36 O CCCCCCCCCC....
50% Homology Family (14)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 1 families.
1 4PG1 - Y39 C13 H24 O2 CCCCCCCCC[....
2 4PGK - Y69 C17 H34 O4 CCOCCOCCOC....
3 4PGI - Y69 C17 H34 O4 CCOCCOCCOC....
4 4TW3 - STE C18 H36 O2 CCCCCCCCCC....
5 4PG0 - Y39 C13 H24 O2 CCCCCCCCC[....
6 4KVS - 6NA C6 H12 O2 CCCCCC(=O)....
7 4KVQ - PLM C16 H32 O2 CCCCCCCCCC....
8 4KVR - 6NA C6 H12 O2 CCCCCC(=O)....
9 5K53 - STE C18 H36 O2 CCCCCCCCCC....
10 4RC7 - PL3 C16 H34 O CCCCCCCCCC....
11 4QUW - PL3 C16 H34 O CCCCCCCCCC....
12 4RC5 - PL3 C16 H34 O CCCCCCCCCC....
13 4RC8 - STE C18 H36 O2 CCCCCCCCCC....
14 5K52 - OCD C18 H36 O CCCCCCCCCC....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: STE; Similar ligands found: 62
No: Ligand ECFP6 Tc MDL keys Tc
1 MYR 1 1
2 EW8 1 1
3 TDA 1 1
4 F15 1 1
5 PLM 1 1
6 STE 1 1
7 X90 1 1
8 DAO 1 1
9 KNA 1 1
10 DCR 1 1
11 F23 1 1
12 11A 1 1
13 DKA 1 1
14 OCA 0.956522 1
15 SHV 0.833333 0.952381
16 KTC 0.793103 0.875
17 AZ1 0.73913 0.64
18 6NA 0.72 0.904762
19 ELA 0.71875 0.954545
20 OLA 0.71875 0.954545
21 NER 0.71875 0.954545
22 VCA 0.666667 0.954545
23 PAM 0.666667 0.954545
24 PML 0.625 0.6
25 3LA 0.606061 0.8
26 LEA 0.6 0.809524
27 MYZ 0.588235 0.909091
28 12H 0.586207 0.615385
29 ODD 0.567568 0.913043
30 BRC 0.566667 0.666667
31 14V 0.555556 0.740741
32 M12 0.545455 0.869565
33 14U 0.542857 0.703704
34 EIC 0.538462 0.913043
35 EOD 0.538462 0.7
36 D0G 0.5 0.954545
37 BMJ 0.5 0.954545
38 BNV 0.5 0.954545
39 BUA 0.48 0.666667
40 RCL 0.468085 0.84
41 FTT 0.459459 0.807692
42 HXD 0.459459 0.807692
43 56S 0.459459 0.653846
44 ODT 0.452381 0.782609
45 3X1 0.444444 0.818182
46 LNL 0.44186 0.826087
47 9J6 0.441176 0.666667
48 OOA 0.441176 0.76
49 CUY 0.435897 0.68
50 6UL 0.435897 0.68
51 CNS 0.435897 0.68
52 5UF 0.432432 0.807692
53 243 0.428571 0.807692
54 1QW 0.418605 0.606061
55 GYM 0.418605 0.606061
56 O8N 0.413793 0.75
57 1DO 0.413793 0.75
58 PL3 0.413793 0.75
59 OC9 0.413793 0.75
60 DE1 0.413793 0.75
61 F09 0.413793 0.75
62 T25 0.403846 0.677419
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 4RC8; Ligand: STE; Similar sites found with APoc: 377
This union binding pocket(no: 1) in the query (biounit: 4rc8.bio1) has 24 residues
No: Leader PDB Ligand Sequence Similarity
1 1NU4 MLA None
2 6CB2 OLC None
3 4F4S EFO None
4 4WG0 CHD None
5 3KPE TM3 None
6 4V3I ASP LEU THR ARG PRO None
7 2ZFZ ARG None
8 1UO5 PIH None
9 5FS0 5JC None
10 6CHP F0Y None
11 1G27 BB1 None
12 4LWU 20U None
13 6BYM HC3 None
14 1WS1 BB2 None
15 1SBR VIB None
16 5RHN 8BR None
17 4LY9 S6P 0.900901
18 4LY9 1YY 0.900901
19 3FS1 ALA ALA LEU ALA ALA LEU LEU ALA ALA 0.900901
20 3KFC 61X 0.900901
21 5A4W QCT 0.943396
22 5IJJ I6P 1.04167
23 3VRV YSD 1.35135
24 5L7G LYS SER LEU LEU GLN GLN LEU LEU THR GLU 1.35135
25 2Z9I GLY ALA THR VAL 1.35135
26 4XU6 TDA 1.42857
27 1Q1Y BB2 1.57068
28 3WUR O4B 1.75439
29 6DIO CIT 1.8018
30 5EK3 5PK 1.8018
31 3B99 U51 1.8018
32 5NTP 98E 1.8018
33 3NY4 SMX 1.8018
34 2Q2Y ADP 1.8018
35 2Q2Y MKR 1.8018
36 5IXK 6EW 1.8018
37 1DTL BEP 1.86335
38 3RV5 DXC 2.24719
39 6B21 C9V 2.25225
40 3ZPG 5GP 2.25225
41 3R9V DXC 2.25225
42 5KBE IPH 2.25225
43 2QCX PF1 2.25225
44 3FAL REA 2.25225
45 6BMS PLM 2.25225
46 6BMS POV 2.25225
47 5NI5 8YB 2.25225
48 3G58 988 2.25225
49 1R6N 434 2.36967
50 2HJ3 FAD 2.4
51 6BR9 PGV 2.7027
52 4MGA 27L 2.7027
53 4TV1 36M 2.7027
54 3AQT RCO 2.7027
55 6BR9 6OU 2.7027
56 6BR8 PGV 2.7027
57 5AAV GW5 2.7027
58 6BMM OLB 2.7027
59 3L9R L9R 2.7027
60 2I0G I0G 2.7027
61 6BR8 6OU 2.7027
62 6C1R EFD 2.7027
63 3PF7 MLA 2.7027
64 1YYE 196 2.7027
65 3L9R L9Q 2.7027
66 1U3R 338 2.7027
67 2QE4 JJ3 2.7027
68 5HYR EST 2.7027
69 2O1V ADP 2.7027
70 5HGZ ACO 2.7027
71 5M37 9SZ 2.7027
72 3G5K BB2 2.73224
73 4MRP GSH 2.9316
74 5KAX RHQ 3.01205
75 2GJ5 VD3 3.08642
76 5X80 SAL 3.125
77 2YLD CMO 3.14961
78 2BHW NEX 3.15315
79 3X01 AMP 3.15315
80 3CHT 4NB 3.15315
81 2GWH PCI 3.15315
82 2RH1 CLR 3.15315
83 3GZ9 D32 3.15315
84 3O01 DXC 3.15315
85 4ZJS 4P0 3.15315
86 1T0S BML 3.15315
87 4DXJ 0M9 3.15315
88 1NQ7 HIS LYS ILE LEU HIS ARG LEU LEU GLN GLU 3.15315
89 4URN NOV 3.15315
90 1H82 GZZ 3.15315
91 1H82 FAD 3.15315
92 1ZT1 PHE GLU ALA ASN GLY ASN LEU ILE 3.15315
93 3F3E LEU 3.15315
94 3T3Z 9PL 3.15315
95 2Q4G CIT 3.15315
96 2BHW XAT 3.15315
97 5V3Y 5V8 3.15315
98 3P9T TCL 3.19635
99 5N26 CPT 3.2967
100 4DOO DAO 3.41463
101 3GF2 SAL 3.42466
102 4V1F BQ1 3.48837
103 2UW1 GVM 3.6036
104 2JHP GUN 3.6036
105 5NM7 GLY 3.6036
106 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 3.6036
107 3KAL HGS 3.6036
108 5U0L 8YP 3.6036
109 1YC4 43P 3.6036
110 1SJD NPG 3.6036
111 3FUR Z12 3.6036
112 5UC9 MYR 3.6036
113 3G9E RO7 3.6036
114 2P4Y C03 3.6036
115 4O1Z MXM 3.6036
116 4RQL SNE 3.6036
117 6GKV F2W 3.6036
118 5V4R MGT 3.7037
119 4NAT ADP 3.75
120 1M48 FRG 3.7594
121 3OQJ 3CX 3.89105
122 2HFN FMN 3.92157
123 1XZ3 ICF 4.02299
124 5OCA 9QZ 4.05405
125 2HHP FLC 4.05405
126 5IUY BOG 4.05405
127 5E58 CPZ 4.05405
128 1XMY ROL 4.05405
129 5MBC FMN 4.05405
130 4QO5 NAG 4.05405
131 3UG4 AHR 4.05405
132 2OBD PCW 4.05405
133 1XM4 PIL 4.05405
134 5EE7 5MV 4.05405
135 1XMU ROF 4.05405
136 1Z6T ADP 4.05405
137 3TJH SER PRO LEU ASP SER LEU TRP TRP ILE 4.05405
138 2F2G HMH 4.0724
139 2Q4X HMH 4.0724
140 3E8T UQ8 4.09091
141 5X13 HC4 4.25532
142 3JUQ AJD 4.32432
143 3JUQ AKD 4.32432
144 5MTE BB2 4.37956
145 4MNS 2AX 4.40252
146 3QFJ LEU LEU PHE GLY PHE PRO VAL TYR VAL 4.5
147 5C0C ARG GLN PHE GLY PRO ASP TRP ILE VAL ALA 4.5
148 1ZED PNP 4.5045
149 4DE3 DN8 4.5045
150 4F7E 0SH 4.5045
151 4UMJ BFQ 4.5045
152 3SQP 3J8 4.5045
153 5LD8 6U5 4.5045
154 5Z3I ADE 4.5045
155 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 4.5045
156 5UC4 83S 4.54545
157 3KP6 SAL 4.63576
158 3L1N PLM 4.63918
159 6GL8 F3Q 4.65116
160 6CAY ERG 4.73373
161 3F8C HT1 4.7619
162 2IYG FMN 4.83871
163 3MG9 GHP 3MY 3FG GHP GHP OMY 3FG 4.95496
164 1XVB BHL 4.95496
165 5U98 1KX 4.95496
166 1XVB 3BR 4.95496
167 5T70 THR SER ASN LEU GLN GLU GLN ILE GLY TRP 4.95496
168 5U98 VAL THR THR ASP ILE GLN VAL LYS VAL 4.95496
169 4IGH ORO 4.95496
170 4IGH 1EA 4.95496
171 4IGH FMN 4.95496
172 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 4.95496
173 4Q0A GLY HIS LYS ILE LEU HIS ARG LEU LEU GLN 4.95496
174 5LGA 6VH 4.95496
175 6D28 NEC 4.95496
176 5E7V M7E 4.95496
177 4A7W GTP 4.95496
178 4UP5 94W 5.05051
179 5CHR 4NC 5.10949
180 3KXC PLM 5.15464
181 1FX8 BOG 5.40541
182 4OB6 S2T 5.40541
183 3KDU NKS 5.40541
184 4Q86 AMP 5.40541
185 5OFW 9TW 5.40541
186 1YUC EPH 5.40541
187 4ORM ORO 5.40541
188 4ORM FMN 5.40541
189 4ORM 2V6 5.40541
190 1YOK P6L 5.40541
191 2FV5 541 5.40541
192 5TVI O8N 5.43478
193 5CSD ACD 5.66038
194 4DR9 BB2 5.72917
195 4RYV ZEA 5.80645
196 2BYC FMN 5.83942
197 4G86 BNT 5.85586
198 6C0B PAM 5.85586
199 5WL1 CUY 5.85586
200 5WL1 D3D 5.85586
201 1LOX RS7 5.85586
202 6BJ3 ILE PRO LEU THR GLU GLU ALA GLU LEU 5.85586
203 3E70 GDP 5.85586
204 2Q8G AZX 5.85586
205 3GFZ FMN 5.85586
206 1MO9 KPC 5.85586
207 1MO9 FAD 5.85586
208 5LOF 70R 5.85586
209 1BII ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 5.88235
210 1XW6 GSH 5.9633
211 5KAU RHQ 6.06061
212 6GMN F4E 6.18557
213 1MT1 AG2 6.19469
214 1N13 AG2 6.19469
215 2QQD AG2 6.25
216 2QQC AG2 6.25
217 1X0P FAD 6.29371
218 5W7B MYR 6.30631
219 3RDE OYP 6.30631
220 4YSX E23 6.30631
221 4CA5 3EF 6.30631
222 4OIV XX9 6.30631
223 5GWE GWM 6.30631
224 5C1M OLC 6.4
225 5C1M CLR 6.4
226 4URX FK1 6.48649
227 4HBM 0Y7 6.66667
228 5LX9 OLB 6.75676
229 3LN0 52B 6.75676
230 3TDC 0EU 6.75676
231 3PVT 3HC 6.75676
232 5LWY OLB 6.75676
233 4BTB PRO PRO PRO PRO PRO PRO PRO PRO PRO 6.75676
234 1Y4Z PCI 6.75676
235 6MVU K4V 6.75676
236 5X3R 7Y3 6.82927
237 5V03 658 6.86275
238 4FHT DHB 7.00637
239 5B4B LP5 7.20721
240 5OLK DTP 7.20721
241 3RWP ABQ 7.20721
242 6GH1 ARG LEU PRO ALA LYS ALA PRO LEU LEU 7.20721
243 3T6E UQ9 7.20721
244 5DCH 1YO 7.29167
245 4OAS 2SW 7.29167
246 4YV5 SVR 7.37705
247 5Y02 HBX 7.47664
248 5Y02 MXN 7.47664
249 4WT2 3UD 7.61905
250 5M36 9SZ 7.65766
251 5AZC PGT 7.65766
252 5E70 RCD 7.65766
253 2IHU TP9 7.65766
254 2FP2 TSA 7.83133
255 1HBK MYR 7.86517
256 1HBK COA 7.86517
257 3MBG FAD 7.91367
258 3IIS PID 7.94702
259 1JGS SAL 7.97101
260 1OQC FAD 8
261 2E2R 2OH 8.10811
262 3NB0 G6P 8.10811
263 1LEK GLU GLN TYR LYS PHE TYR SER VAL 8.10811
264 5DUF G7A 8.10811
265 1FO0 ILE ASN PHE ASP PHE ASN THR ILE 8.10811
266 6FS0 E4W 8.1761
267 2PFC PLM 8.19672
268 5URY PAM 8.21918
269 3EE4 MYR 8.55856
270 4WX0 HXD 8.55856
271 1I0B PEL 8.55856
272 3B6C SDN 8.55856
273 1DB1 VDX 8.55856
274 4I90 CHT 8.55856
275 1MID LAP 8.79121
276 3O55 FAD 8.8
277 6EVN PRO PRO GLY PRO ALA GLY PRO PRO GLY 8.82353
278 5FH7 5XL 8.87097
279 6BVJ EAS 8.98204
280 6BVL EBY 8.98204
281 6BVI EC4 8.98204
282 6BVK EAV 8.98204
283 6BVM EBV 8.98204
284 2WOR 2AN 9
285 3W54 RNB 9.00901
286 5C9J DAO 9.00901
287 4Y9J UCC 9.00901
288 2XN5 FUN 9.00901
289 2XN3 ID8 9.00901
290 3SFI 3SF 9.00901
291 1RV1 IMZ 9.41177
292 1GNI OLA 9.45946
293 5IM3 DTP 9.45946
294 5JHD GLY ILE LEU GLY PHE VAL PHE THR LEU 9.45946
295 1E4I NFG 9.45946
296 3E85 BSU 9.49367
297 2PEH LYS ARG LYS SER ARG TRP ASP GLU THR PRO 9.52381
298 1JAY F42 9.90566
299 6F6E PLM 9.90991
300 2HZL PYR 9.90991
301 2QZT PLM 9.90991
302 4XCP PLM 10
303 3RLF MAL 10.3604
304 1ZPD CIT 10.3604
305 4QWT ACD 10.3604
306 5CX6 CDP 10.3604
307 1EYQ NAR 10.3604
308 1QSM ACO 10.5263
309 4OGQ 7PH 10.6977
310 4OGQ 1O2 10.6977
311 4OGQ UMQ 10.6977
312 1N8V BDD 10.7143
313 1TV5 N8E 10.8108
314 4OKD GLC GLC GLC 10.8108
315 2V95 HCY 10.8108
316 5XJ7 87O 10.9453
317 3E3U NVC 11.1675
318 5EW9 5VC 11.2613
319 5VRH OLB 11.2613
320 5MWE TCE 11.4286
321 4ZGM 32M 11.4754
322 2GBB CIT 11.5385
323 5TDU PCR 11.7117
324 3WYJ H78 11.7117
325 3RMK BML 11.7117
326 2BCG GER 12.1622
327 1M2Z BOG 12.1622
328 1SR7 MOF 12.1622
329 4X6F 3XU 12.1622
330 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 12.1622
331 2OYH GLY HIS ARG PRO 12.1622
332 4P6X HCY 12.1622
333 4LSJ LSJ 12.1622
334 4OAR 2S0 12.1622
335 1EWF PC1 12.1622
336 3WFD AXO 12.3288
337 1NF8 BOG 12.5604
338 4WGF HX2 12.6829
339 3QKD HI0 12.7072
340 4O4Z N2O 12.987
341 5OSW DIU 13.0631
342 5OSW AE4 13.0631
343 5ISZ GLY ILE LEU GLY PHE VAL PHE THR LEU 13.5
344 1NRL SRL 13.5135
345 1M13 HYF 13.5135
346 4UZI IMD 13.5135
347 2NV2 GLN 13.5135
348 4QVX 3CQ 13.7725
349 5U9J GER 14.2012
350 5N8V KZZ 14.4928
351 3ZLR X0B 14.557
352 5FPN KYD 14.8649
353 1ZEI CRS 15.0943
354 2ALG DAO 16.3043
355 3HUJ AGH 16.6667
356 4WO4 JLS 16.6667
357 3KO0 TFP 16.8317
358 4YC9 4C1 16.8478
359 5Z84 CHD 17.0213
360 5W97 CHD 17.0213
361 5ZCO PGV 17.0213
362 2DYR PGV 17.0213
363 5Z84 PGV 17.0213
364 5ZCO CHD 17.0213
365 3G08 FEE 17.1171
366 3QUZ QUV 17.1171
367 3SCM LGN 17.1171
368 3RUG DB6 17.1171
369 2CB8 MYA 17.2414
370 4CVZ TYR GLU LEU ASP GLU LYS PHE ASP ARG LEU 17.3469
371 2Y69 CHD 17.5
372 3N7S 3N7 17.7083
373 3D9F N6C 18.9189
374 2VWA PTY 21.7822
375 2FKW RG1 21.9512
376 5IVX ARG GLY PRO GLY ARG ALA PHE VAL THR ILE 22.973
377 1XXA ARG 24.359
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