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Receptor
PDB id Resolution Class Description Source Keywords
1N5S 1.7 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF A MONOOXYGENASE FROM THE GENE ACTVA-ORF STREPTOMYCES COELICOLOR IN COMPLEX WITH THE LIGAND ACETYL D STREPTOMYCES COELICOLOR MONOOXYGENASE AROMATIC POLYKETIDES ACTINORHODIN DIHYDROKAACETYL DITHRANOL STREPTOMYCES COELICOLOR OXIDOREDUCTASE
Ref.: THE STRUCTURE OF ACTVA-ORF6, A NOVEL TYPE OF MONOOX INVOLVED IN ACTINORHODIN BIOSYNTHESIS EMBO J. V. 22 205 2003
Ligand
Ligand Chain:Residue Validity Ligand Warnings Binding Data NGL Viewer Molecular Weight (Da) Formula SMILES
1PG A:2001;
Invalid;
none;
submit data
252.305 C11 H24 O6 COCCO...
ADL B:1001;
Valid;
none;
submit data
284.263 C16 H12 O5 c1cc2...
View in 3D viewer
90% Homology Family
Leader
PDB id Resolution Class Description Source Keywords
1N5S 1.7 Å EC: 1.-.-.- CRYSTAL STRUCTURE OF A MONOOXYGENASE FROM THE GENE ACTVA-ORF STREPTOMYCES COELICOLOR IN COMPLEX WITH THE LIGAND ACETYL D STREPTOMYCES COELICOLOR MONOOXYGENASE AROMATIC POLYKETIDES ACTINORHODIN DIHYDROKAACETYL DITHRANOL STREPTOMYCES COELICOLOR OXIDOREDUCTASE
Ref.: THE STRUCTURE OF ACTVA-ORF6, A NOVEL TYPE OF MONOOX INVOLVED IN ACTINORHODIN BIOSYNTHESIS EMBO J. V. 22 205 2003
Members (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 318 families.
1 1N5S - ADL C16 H12 O5 c1cc2c(c(c....
2 1N5T - OAL C16 H10 O6 c1cc2c(c(c....
3 1N5Q - TNC C21 H20 N2 O6 CN(C)[C@H]....
4 1N5V - NOM C16 H12 O6 C[C@H]1C2=....
70% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 280 families.
1 1N5S - ADL C16 H12 O5 c1cc2c(c(c....
2 1N5T - OAL C16 H10 O6 c1cc2c(c(c....
3 1N5Q - TNC C21 H20 N2 O6 CN(C)[C@H]....
4 1N5V - NOM C16 H12 O6 C[C@H]1C2=....
50% Homology Family (4)
No: PDB id Binding Data Representative ligand Formula Smiles
The Class containing this family consists of a total of 187 families.
1 1N5S - ADL C16 H12 O5 c1cc2c(c(c....
2 1N5T - OAL C16 H10 O6 c1cc2c(c(c....
3 1N5Q - TNC C21 H20 N2 O6 CN(C)[C@H]....
4 1N5V - NOM C16 H12 O6 C[C@H]1C2=....
Polypharmacology
Similar Ligands
Ligand no: 1; Ligand: ADL; Similar ligands found: 2
No: Ligand ECFP6 Tc MDL keys Tc
1 ADL 1 1
2 OAL 0.442857 0.965517
Similar Binding Sites (Proteins are less than 50% similar to leader)
Pocket No.: 1; Query (leader) PDB : 1N5S; Ligand: ADL; Similar sites found with APoc: 436
This union binding pocket(no: 1) in the query (biounit: 1n5s.bio1) has 19 residues
No: Leader PDB Ligand Sequence Similarity
1 2YMZ LAT None
2 1A78 TDG None
3 4WVW SLT None
4 5NLD LBT None
5 1IS3 LAT None
6 5FPX GLY SER SER HIS HIS HIS HIS HIS None
7 1ULE GLA GAL NAG None
8 2X34 UQ8 None
9 3QRC SCR None
10 1ERB ETR None
11 2X32 OTP None
12 1NU4 MLA None
13 1QIN GIP None
14 2P7Q GG6 None
15 5TPV TYD None
16 1DZK PRZ None
17 6BU0 IHP None
18 5ML3 DL3 None
19 3STK PLM None
20 1P0Z FLC None
21 5N0L ILE None
22 3WUC GLC GAL None
23 1U0A BGC BGC BGC BGC None
24 3E2M E2M None
25 3VQ2 LP4 LP5 MYR DAO None
26 5EZU MYR None
27 1IIU RTL None
28 5IXG OTP None
29 1WUB OTP None
30 2R0H CTO None
31 3ZW2 NAG GAL FUC None
32 2WMC MGP None
33 3KP6 SAL None
34 4JH6 FCN None
35 4N7C AEF None
36 3M3R BCD None
37 1OGZ EQU None
38 1LFO OLA None
39 2QO4 CHD None
40 5ICE 2H4 None
41 5BVB DOG None
42 3ZW2 GAL FUC None
43 4QM9 CYS None
44 2BOS GLA GAL GLC None
45 2BOS GLA GAL None
46 3ZO7 K6H None
47 2P3B 3TL None
48 4XCP PLM None
49 5NIU 8YZ None
50 4XMF HSM None
51 4QYN RTL None
52 3T50 FMN None
53 1LNX URI None
54 1C9K 5GP None
55 4BJ8 BTN None
56 2YIP YIO None
57 4O9S 2RY None
58 2V0U FMN None
59 5W10 CMP None
60 4Q5M ROC None
61 1SLT NDG GAL 1.78571
62 1U26 IHS 1.78571
63 3OYW TDG 1.78571
64 5IXH OTP 1.78571
65 1GZW GAL BGC 1.78571
66 4L4J NAG NAG BMA MAN NAG 1.78571
67 5AIG VPR 1.78571
68 4Y24 TD2 1.78571
69 3PH4 AOS 1.78571
70 3HEE R5P 1.78571
71 5HA0 LTD 1.78571
72 3ROE THM 1.78571
73 2AG4 LP3 2.67857
74 2AG4 OLA 2.67857
75 1QY1 PRZ 2.67857
76 3A76 SPD 2.67857
77 3PUR 2HG 2.67857
78 2YNE YNE 2.67857
79 2YNE NHW 2.67857
80 1SDW IYT 2.67857
81 6GR0 F8W 2.67857
82 4B1M FRU FRU 2.67857
83 6GW4 CHO 2.67857
84 3SFI 3SF 2.67857
85 1GT4 UNA 2.67857
86 3TAY MN0 2.67857
87 4HIA FMN 2.67857
88 4OIT MAN 2.67857
89 1KGI T4A 2.67857
90 3DBX PLM 3.0303
91 1UNB PN1 3.57143
92 3R6U CHT 3.57143
93 5YBN AKG 3.57143
94 2WA4 069 3.57143
95 3STD MQ0 3.57143
96 5NBP BGC BGC BGC 3.57143
97 1YKD CMP 3.57143
98 6GVZ CHO 3.57143
99 4HWS 1B3 3.57143
100 6BR8 PGV 3.57143
101 4XJ6 GH3 3.57143
102 1ZM1 BGC BGC BGC 3.57143
103 4U03 TLL 3.57143
104 4U03 GTP 3.57143
105 5XS3 VAL ARG SER ARG ARG CYS LEU ARG LEU 3.57143
106 1H2K OGA 3.57143
107 1H2M OGA 3.57143
108 4C2V YJA 3.57143
109 2YG2 S1P 3.57143
110 2XUM OGA 3.57143
111 6BR9 PGV 3.57143
112 4V24 GYR 3.57143
113 1T66 FLU 3.57143
114 5GP0 GPP 3.57143
115 3P3N AKG 3.57143
116 1UNB AKG 3.57143
117 5Y02 HBX 3.73832
118 5Y02 MXN 3.73832
119 5BU3 4W9 4.34783
120 5GLT BGC GAL NAG GAL 4.46429
121 5LUN OGA 4.46429
122 1C1L GAL BGC 4.46429
123 4OCT AKG 4.46429
124 4EE7 PIS 4.46429
125 4X6F 3XU 4.46429
126 2OBD 2OB 4.46429
127 2HZQ STR 4.46429
128 3PUA OGA 4.46429
129 5DRB 5FJ 4.46429
130 2VQ5 HBA 4.46429
131 1NSZ GLC 4.46429
132 5LUN ARG 4.46429
133 5U98 1KX 4.46429
134 3AGC RCC 4.46429
135 1Y52 BTN 4.46429
136 5H2D ERG 4.46429
137 1GQG DCD 4.46429
138 3B9Z CO2 4.46429
139 3E8N ATP 4.46429
140 3E8N VRA 4.46429
141 2VFT SOR 4.46429
142 3TKY N7I 4.46429
143 3ZXR IQ1 4.46429
144 3ZXR P3S 4.46429
145 2Q7D ANP 4.46429
146 2Y6Q I7T 4.46429
147 2WT2 GAL NAG GAL NAG GAL NAG 4.46429
148 2ET1 GLV 4.46429
149 2R5V HHH 4.46429
150 2Y3S TIR 4.46429
151 4BVM PLM 4.46429
152 4BVM VCA 4.46429
153 5A1S FLC 4.46429
154 4HK8 XYP XYP XYP XYP XYP XYP 4.46429
155 4L9Z OXL 4.46429
156 5C1M OLC 4.46429
157 3DLG GWE 4.46429
158 2A4W BLM 4.46429
159 4BCS BTN 4.46429
160 4GCZ FMN 4.46429
161 5ACM MBT 4.5045
162 5T7I LAT NAG GAL 5.35714
163 1ZB6 GST 5.35714
164 3WV6 GAL BGC 5.35714
165 3WV6 GAL GLC 5.35714
166 5JSP DQY 5.35714
167 3NV3 GAL NAG MAN 5.35714
168 2ZHL NAG GAL GAL NAG 5.35714
169 5NFB 8VT 5.35714
170 4IMO PWZ 5.35714
171 1ZHX HC3 5.35714
172 4JE5 PMP 5.35714
173 3RGA LSB 5.35714
174 2GC0 PAN 5.35714
175 4J25 OGA 5.35714
176 3FW4 CAQ 5.35714
177 5UGW GSH 5.35714
178 2HOX P1T 5.35714
179 1ODM ASV 5.35714
180 4WN5 MVC 5.35714
181 5OSW DIU 5.35714
182 3W68 VIV 5.35714
183 5YJS SAL 5.35714
184 5YXC CIT 5.35714
185 1YOK P6L 5.35714
186 3CQ5 PMP 5.35714
187 5I0U DCY 5.35714
188 1T27 PCW 5.35714
189 5KJW 53C 5.35714
190 1R5L VIV 5.35714
191 4JE5 PLP 5.35714
192 4ORR PE3 5.35714
193 1ZB6 DIN 5.35714
194 2Z9I GLY ALA THR VAL 5.35714
195 4YGF AZM 5.35714
196 5GNX BGC 5.35714
197 1OGA GLY ILE LEU GLY PHE VAL PHE THR LEU 5.35714
198 3T2W BTN 5.35714
199 2JLD AG1 5.35714
200 5FU3 BGC BGC BGC 5.66038
201 3M3E GAL A2G NPO 6.25
202 4MNS 2AX 6.25
203 6CB2 OLC 6.25
204 6FOF LAT 6.25
205 1W6O LAT 6.25
206 5EOB 5QQ 6.25
207 1W6P NDG GAL 6.25
208 2E56 MYR 6.25
209 3LVW GSH 6.25
210 4RFR RHN 6.25
211 1OJJ GLC GAL 6.25
212 1OJK GLC BGC 6.25
213 6F6D AKG 6.25
214 4IAW LIZ 6.25
215 4GN8 ASO 6.25
216 5LX9 OLB 6.25
217 6EWZ APC 6.25
218 1R6N 434 6.25
219 4WGF HX2 6.25
220 4J51 N75 6.25
221 6E08 NAP 6.25
222 3K4Z CBI 6.25
223 1W6M GAL 6.25
224 2Z77 HE7 6.25
225 2WLG SOP 6.25
226 5H9Y BGC BGC BGC BGC 6.25
227 5FP3 3JI 6.25
228 1J0D 5PA 6.25
229 4H6B 10X 7.14286
230 1D5Z ACE ALC ARG ALA ODA SER LEU NH2 7.14286
231 6G0X RAM GLC GLA NAG NDG NAG 7.14286
232 4H6B 10Y 7.14286
233 6D61 4AA 7.14286
234 3AMN CBK 7.14286
235 3AMN CBI 7.14286
236 2BWA GLC BGC 7.14286
237 2NNQ T4B 7.14286
238 3PFG TLO 7.14286
239 3PFG SAM 7.14286
240 1SO0 GAL 7.14286
241 3SAO NKN 7.14286
242 3E85 BSU 7.14286
243 4FHD EEM 7.14286
244 4FHD 0TT 7.14286
245 5K21 6QF 7.14286
246 5CAD PCA 7.14286
247 1LEK GLU GLN TYR LYS PHE TYR SER VAL 7.14286
248 2YKL NLD 7.14286
249 4J7Q B7N 7.14286
250 4K3H 1OM 7.14286
251 3MF2 AMP 7.14286
252 5FRE SIA GAL 7.14286
253 5H5A 6OU 7.14286
254 6FUL E7Z 7.14286
255 5W19 9TD 7.14286
256 4AZP A9M 7.14286
257 4K55 H6P 7.25806
258 2BS5 BGC GAL FUC 7.77778
259 2XMY CDK 8.03571
260 3KFF XBT 8.03571
261 3KFF ZBT 8.03571
262 5Y72 DST 8.03571
263 4OPC PGT 8.03571
264 2A1L PCW 8.03571
265 4J36 1HR 8.03571
266 1DY4 SNP 8.03571
267 4J36 FAD 8.03571
268 4F7E 0SH 8.03571
269 1MHC FME TYR PHE ILE ASN ILE LEU THR LEU 8.03571
270 4WOE ADP 8.03571
271 1UU6 BGC BGC BGC BGC 8.03571
272 4YZC STU 8.03571
273 1SWG BTN 8.03571
274 5N87 N66 8.03571
275 3X00 ZOF ZOF EDN 8.03571
276 3X00 ZOF EDN ZOF 8.03571
277 4BX7 B4F 8.03571
278 2F01 BTN 8.03571
279 2F01 BTQ 8.03571
280 5D48 L96 8.03571
281 2WPU KYT 8.03571
282 5A89 ADP 8.03571
283 2QM9 TDZ 8.03571
284 1KJ1 MAN 8.25688
285 5H9Q TD2 8.92857
286 3VV1 GAL FUC 8.92857
287 3ZXE PGZ 8.92857
288 4YLZ LAT NAG GAL 8.92857
289 4WO4 JLS 8.92857
290 4RYV ZEA 8.92857
291 3FW9 SLX 8.92857
292 3RUG DB6 8.92857
293 4NPL AKG 8.92857
294 1UMZ BGC BGC XYS BGC XYS GAL 8.92857
295 5TBM 79A 8.92857
296 5X80 SAL 8.92857
297 4IE6 UN9 8.92857
298 5LXB 7A9 8.92857
299 4H69 10Y 8.92857
300 2PNC CLU 8.92857
301 4FAJ LEU VAL THR LEU VAL PHE VAL 8.92857
302 1LSH PLD 8.92857
303 1CEB AMH 9.09091
304 2OVW CBI 9.82143
305 5OX6 A1Z 9.82143
306 4D4U FUC GAL NAG 9.82143
307 2CDO GAL AAL GAL AAL GAL AAL 9.82143
308 2GWH PCI 9.82143
309 3VHH VHH 9.82143
310 3PPQ CHT 9.82143
311 6ARJ SAH 9.82143
312 6ARJ BW4 9.82143
313 5EO8 TFU 9.82143
314 1GP6 QUE 9.82143
315 1GP6 DH2 9.82143
316 1GP6 SIN 9.82143
317 1ZZ7 S0H 9.82143
318 3HQR OGA 9.82143
319 5TZO 7V7 9.82143
320 1OLM VTQ 9.82143
321 4D52 GIV 9.82143
322 2ZYJ PGU 9.82143
323 3N0Y APC 9.82143
324 3LSJ PLM COA 9.82143
325 3ZGJ RMN 9.82143
326 4GJ3 0XP 9.82143
327 5L9B AKG 9.82143
328 5HZ9 5M8 9.82143
329 1XI9 PLP 9.82143
330 4D4U FUC GAL NDG FUC 9.82143
331 1ZP9 ATP 9.82143
332 4D52 GXL 9.82143
333 5ODY 9SK 10.7143
334 2A1X AKG 10.7143
335 1VA6 P2S 10.7143
336 1Y0G 8PP 10.7143
337 4OMJ 2TX 10.7143
338 5X7Q ACR 10.7143
339 5BVE 4VG 10.7143
340 4G31 0WH 10.7143
341 1H8S AIC 10.7143
342 5H9P TD2 10.7143
343 1VA6 ADP 10.7143
344 5X7Q GLC GLC GLC GLC GLC 10.7143
345 5AB1 BCD TA5 HP6 MAN 10.7143
346 5MWE TCE 11.1111
347 5M36 9SZ 11.6071
348 2QL9 CIT 11.6071
349 3E8T UQ8 11.6071
350 5M37 9SZ 11.6071
351 5DEY 59T 11.6071
352 5HZ5 65X 11.6071
353 5ZM4 9FU 11.6071
354 5ZM4 AKG 11.6071
355 1VYF OLA 11.6071
356 1EWF PC1 11.6071
357 4LOC OXM 11.6071
358 4X5S AZM 11.6071
359 5XVG 8FX 11.6071
360 3Q8G PEE 12.5
361 1I82 BGC BGC 12.5
362 1J3R 6PG 12.5
363 5L6G XYP 12.5
364 6GNO XDI 12.5
365 5TFZ 7BC 12.5
366 1AUA BOG 12.5
367 2FCU AKG 12.5
368 4TXJ THM 12.5
369 3WUD GLC GAL 13.3929
370 3SCM LGN 13.3929
371 4UWJ 7L5 13.3929
372 4UWJ MYA 13.3929
373 5J75 6GQ 13.3929
374 4R3U 3HC 13.3929
375 4R3U 3KK 13.3929
376 4MP8 NAD 14.2857
377 4MP8 MLI 14.2857
378 3W8X FTK 14.2857
379 3I8T LBT 15.1786
380 6MPT C30 15.1786
381 3WG3 A2G GAL NAG FUC 15.1786
382 1WW5 SGA BGC 15.1786
383 3OZ2 OZ2 15.1786
384 5A3T MMK 15.1786
385 5F3I 5UJ 15.1786
386 5EW9 5VC 16.0714
387 2ZYI STE 16.0714
388 1MEX RAC 16.0714
389 3PGU OLA 16.0714
390 3W21 AKG 16.0714
391 5MZI FAD 16.0714
392 5MZI FYK 16.0714
393 4U0W 16G 16.0714
394 6C1S EFV 16.0714
395 1MDC PLM 16.9643
396 1FDQ HXA 16.9643
397 5DG2 GAL GLC 17.8571
398 5W97 CHD 17.8571
399 5Z84 CHD 17.8571
400 2Y69 CHD 17.8571
401 5ZCO PGV 17.8571
402 2DYR PGV 17.8571
403 5Z84 PGV 17.8571
404 4D06 NAR 17.8571
405 5ZCO CHD 17.8571
406 2DYS PGV 17.8571
407 5KBZ 3B2 17.8571
408 2D6M LBT 18.75
409 4MOB ADP 18.75
410 5IVE 6E8 19.6429
411 1MH5 HAL 19.6429
412 3GL0 HXX 19.6429
413 4ZU4 4TG 19.6429
414 5OCG 9R5 19.6429
415 6FA4 D1W 19.6429
416 5KEW 6SB 20.2128
417 1TT8 PHB 20.5357
418 4FFG LBS 20.5357
419 1M2Z BOG 20.5357
420 2RFZ CTR 20.5357
421 4RJD TFP 21.2121
422 5NBW 8SK 21.4286
423 3WFD AXO 21.4286
424 4OB6 S2T 23.2143
425 3MTX PGT 23.2143
426 3NNF AKG 23.2143
427 4ZU5 THM 24.1071
428 3LN0 52B 25.8929
429 5JWP AKG 26.3158
430 4WUP 3UF 26.7857
431 4YZ5 SLT 28.5714
432 4BJZ P3A 28.5714
433 4BJZ FAD 28.5714
434 3PG7 PTY 29.4643
435 5FKP 6UL 31.8182
436 3AVR OGA 31.8182
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