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Molecular Docking of SPF30 Tudor domain with synthetic inhibitor 4-(pyridin-2-yl)thiazol-2-amine
Authors
Borggraefe, J., Gaussmann, S., Sattler, M.
Assembly
Survival of motor neuron-related-splicing factor 30
Entity
1. Survival of motor neuron-related-splicing factor 30, entity 1 (polymer), 64 monomers, 6931.477 Da Detail

ASTQPTHSWK VGDKCMAVWS EDGQCYEAEI EEIDEENGTA AITFAGYGNA EVTPLLNLKP VEEG


2. Survival of motor neuron-related-splicing factor 30, entity 2 (non-polymer), 177.226 Da
Total weight
7108.703 Da
Max. entity weight
6931.477 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 322, 13C: 198 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111ALAHAH4.2710.0201
211ALAHB1H1.3310.0201
311ALAHB2H1.3310.0201
411ALAHB3H1.3310.0201
511ALACAC52.4130.31
611ALACBC19.1860.31
712SERHAH4.4190.0201
812SERHB2H3.7820.0202
912SERHB3H3.8340.0202
1012SERCAC58.0850.31
1112SERCBC63.6280.31
1213THRHAH4.2830.0201
1313THRHBH4.1570.0201
1413THRHG21H1.1170.0201
1513THRHG22H1.1170.0201
1613THRHG23H1.1170.0201
1713THRCAC61.5890.31
1813THRCBC69.5970.31
1913THRCG2C21.5680.31
2014GLNHAH4.5680.0201
2114GLNHB2H1.8540.0202
2214GLNHB3H2.0190.0202
2314GLNHG3H2.3060.0201
2414GLNCAC53.5170.31
2514GLNCBC28.9200.31
2614GLNCGC33.2940.31
2715PROHAH4.4140.0201
2815PROHB2H1.8040.0202
2915PROHB3H2.2040.0202
3015PROHG3H1.9310.0201
3115PROHD2H3.5920.0202
3215PROHD3H3.7330.0202
3315PROCAC62.9810.31
3415PROCBC32.0890.31
3515PROCGC27.3660.31
3615PROCDC50.6200.31
3716THRHAH4.1640.0201
3816THRHBH4.0760.0201
3916THRHG21H1.1050.0201
4016THRHG22H1.1050.0201
4116THRHG23H1.1050.0201
4216THRCAC61.7510.31
4316THRCBC69.6250.31
4416THRCG2C21.5390.31
4517HISHAH4.3410.0201
4617HISHB2H2.5770.0202
4717HISHB3H2.8050.0202
4817HISHD2H6.0680.0201
4917HISHE1H7.8180.0201
5017HISCAC55.3910.31
5117HISCBC30.6490.31
5217HISCD2C119.1880.31
5317HISCE1C137.0210.31
5418SERHAH4.3490.0201
5518SERHB2H3.4990.0202
5618SERHB3H3.5840.0202
5718SERCAC56.9380.31
5818SERCBC63.1570.31
5919TRPHAH4.7320.0201
6019TRPHB2H2.8450.0202
6119TRPHB3H2.9960.0202
6219TRPHD1H7.1190.0201
6319TRPHE3H8.0080.0201
6419TRPHZ2H6.7920.0201
6519TRPHZ3H7.1680.0201
6619TRPHH2H6.6260.0201
6719TRPCAC56.7270.31
6819TRPCBC32.1510.31
6919TRPCD1C127.3020.31
7019TRPCE3C122.3150.31
7119TRPCZ2C113.6570.31
7219TRPCZ3C121.1320.31
7319TRPCH2C123.4980.31
74110LYSHAH4.5580.0201
75110LYSHB2H1.6780.0202
76110LYSHB3H1.7320.0202
77110LYSHG2H1.2670.0202
78110LYSHG3H1.4700.0202
79110LYSHD2H1.6270.0201
80110LYSHE3H2.9360.0201
81110LYSCAC54.2060.31
82110LYSCBC35.7590.31
83110LYSCGC23.6660.31
84110LYSCDC29.0670.31
85110LYSCEC41.8990.31
86111VALHAH3.1670.0201
87111VALHBH1.8200.0201
88111VALHG11H0.8520.0202
89111VALHG12H0.8520.0202
90111VALHG13H0.8520.0202
91111VALHG21H0.9210.0202
92111VALHG22H0.9210.0202
93111VALHG23H0.9210.0202
94111VALCAC65.7560.31
95111VALCBC31.3300.31
96111VALCG1C21.4320.31
97111VALCG2C22.9980.31
98112GLYHA2H3.6610.0202
99112GLYHA3H4.3890.0202
100112GLYCAC44.3420.31
101113ASPHAH4.6110.0201
102113ASPHB2H2.9480.0202
103113ASPHB3H3.1910.0202
104113ASPCAC55.4500.31
105113ASPCBC41.6020.31
106114LYSHAH5.0480.0201
107114LYSHB3H1.8130.0201
108114LYSHG2H1.5340.0202
109114LYSHG3H1.5940.0202
110114LYSHD3H1.6480.0201
111114LYSCAC54.4590.31
112114LYSCBC33.6310.31
113114LYSCGC25.1810.31
114114LYSCDC28.5660.31
115115CYSHAH5.0240.0201
116115CYSHB2H2.2660.0202
117115CYSHB3H2.5710.0202
118115CYSCAC55.3570.31
119115CYSCBC32.0540.31
120116METHAH5.2270.0201
121116METHB2H1.6280.0202
122116METHB3H1.7630.0202
123116METHG2H2.4870.0202
124116METHG3H2.5410.0202
125116METCAC53.1070.31
126116METCBC32.8990.31
127116METCGC31.8850.31
128117ALAHAH4.8580.0201
129117ALAHB1H1.0720.0201
130117ALAHB2H1.0720.0201
131117ALAHB3H1.0720.0201
132117ALACAC50.2630.31
133117ALACBC23.6790.31
134118VALHAH4.2290.0201
135118VALHBH1.8480.0201
136118VALHG11H0.6210.0202
137118VALHG12H0.6210.0202
138118VALHG13H0.6210.0202
139118VALHG21H0.8700.0202
140118VALHG22H0.8700.0202
141118VALHG23H0.8700.0202
142118VALCAC62.3250.31
143118VALCBC32.6610.31
144118VALCG1C21.0020.31
145118VALCG2C22.3740.31
146119TRPHAH5.1960.0201
147119TRPHB3H3.6650.0201
148119TRPHD1H7.0770.0201
149119TRPHE3H7.5070.0201
150119TRPHZ2H6.7880.0201
151119TRPHZ3H6.2560.0201
152119TRPHH2H6.6260.0201
153119TRPCAC54.3220.31
154119TRPCBC29.8040.31
155119TRPCD1C125.3150.31
156119TRPCE3C123.8360.31
157119TRPCZ2C114.2860.31
158119TRPCZ3C121.5650.31
159119TRPCH2C124.7240.31
160120SERHAH3.8170.0201
161120SERHB2H3.6460.0202
162120SERHB3H3.8080.0202
163120SERCAC61.0800.31
164120SERCBC62.2550.31
165121GLUHAH3.4940.0201
166121GLUHB2H-0.0920.0202
167121GLUHB3H0.3630.0202
168121GLUHG2H1.4360.0202
169121GLUHG3H1.5430.0202
170121GLUCAC57.9690.31
171121GLUCBC27.8280.31
172121GLUCGC35.7620.31
173122ASPHAH4.6150.0201
174122ASPHB2H2.2480.0202
175122ASPHB3H2.9510.0202
176122ASPCAC52.5450.31
177122ASPCBC42.1930.31
178123GLYHA2H3.5120.0202
179123GLYHA3H3.9420.0202
180123GLYCAC46.2130.31
181124GLNHAH4.4250.0201
182124GLNHB2H1.8540.0202
183124GLNHB3H2.2040.0202
184124GLNHG2H2.0400.0202
185124GLNHG3H2.2010.0202
186124GLNCAC53.9060.31
187124GLNCBC29.2500.31
188124GLNCGC33.9620.31
189125CYSHAH5.0960.0201
190125CYSHB2H2.4420.0202
191125CYSHB3H2.6500.0202
192125CYSCAC57.9880.31
193125CYSCBC28.8040.31
194126TYRHAH4.7660.0201
195126TYRHB2H2.7770.0202
196126TYRHB3H3.4690.0202
197126TYRHD1H7.0770.0201
198126TYRHD2H7.0770.0201
199126TYRHE1H7.2540.0201
200126TYRHE2H7.2540.0201
201126TYRCAC56.9860.31
202126TYRCBC43.7950.31
203126TYRCD1C133.9790.31
204126TYRCD2C133.9790.31
205126TYRCE1C118.6800.31
206126TYRCE2C118.6800.31
207127GLUHAH4.9210.0201
208127GLUHB2H1.9630.0202
209127GLUHB3H2.0560.0202
210127GLUHG2H2.2210.0202
211127GLUHG3H2.3320.0202
212127GLUCAC57.4190.31
213127GLUCBC30.4610.31
214127GLUCGC37.2690.31
215128ALAHAH5.0080.0201
216128ALAHB1H0.6780.0201
217128ALAHB2H0.6780.0201
218128ALAHB3H0.6780.0201
219128ALACAC50.6770.31
220128ALACBC23.9010.31
221129GLUHAH5.0750.0201
222129GLUHB3H1.7340.0201
223129GLUHG2H1.8640.0202
224129GLUHG3H1.9160.0202
225129GLUCAC54.0750.31
226129GLUCBC33.6930.31
227129GLUCGC36.6990.31
228130ILEHAH3.8430.0201
229130ILEHBH1.8770.0201
230130ILEHG12H0.3490.0202
231130ILEHG13H1.4870.0202
232130ILEHG21H0.6010.0201
233130ILEHG22H0.6010.0201
234130ILEHG23H0.6010.0201
235130ILEHD11H0.4420.0201
236130ILEHD12H0.4420.0201
237130ILEHD13H0.4420.0201
238130ILECAC63.0240.31
239130ILECBC38.1100.31
240130ILECG1C28.0910.31
241130ILECG2C18.5890.31
242130ILECD1C14.7300.31
243131GLUHAH4.4720.0201
244131GLUHB2H1.6940.0202
245131GLUHB3H1.9750.0202
246131GLUHG2H2.0620.0202
247131GLUHG3H2.1760.0202
248131GLUCAC57.1880.31
249131GLUCBC30.8850.31
250131GLUCGC35.2760.31
251132GLUHAH4.3980.0201
252132GLUHB3H1.8950.0201
253132GLUHG2H2.1120.0201
254132GLUCAC55.8120.31
255132GLUCBC33.8030.31
256132GLUCGC36.2270.31
257133ILEHAH4.4260.0201
258133ILEHBH1.5760.0201
259133ILEHG12H0.7170.0202
260133ILEHG13H1.3390.0202
261133ILEHG21H0.8080.0201
262133ILEHG22H0.8080.0201
263133ILEHG23H0.8080.0201
264133ILEHD11H0.7170.0201
265133ILEHD12H0.7170.0201
266133ILEHD13H0.7170.0201
267133ILECAC60.9080.31
268133ILECBC41.6390.31
269133ILECG1C28.8120.31
270133ILECG2C17.1680.31
271133ILECD1C14.0070.31
272134ASPHAH4.8080.0201
273134ASPHB2H2.3000.0202
274134ASPHB3H3.1920.0202
275134ASPCAC51.7560.31
276134ASPCBC40.5460.31
277135GLUHAH3.9220.0201
278135GLUHB2H1.9420.0202
279135GLUHB3H2.0620.0202
280135GLUHG2H2.2040.0202
281135GLUHG3H2.3150.0202
282135GLUCAC58.8940.31
283135GLUCBC29.7290.31
284135GLUCGC36.5830.31
285136GLUHAH4.0250.0201
286136GLUHB2H1.9760.0202
287136GLUHB3H2.0620.0202
288136GLUHG3H2.2020.0201
289136GLUCAC59.0360.31
290136GLUCBC29.2830.31
291136GLUCGC36.2850.31
292137ASNHAH4.7320.0201
293137ASNHB2H2.3380.0202
294137ASNHB3H2.6590.0202
295137ASNCAC52.8730.31
296137ASNCBC39.5560.31
297138GLYHA2H3.9420.0201
298138GLYHA3H3.9420.0201
299138GLYCAC47.0550.31
300139THRHAH4.8560.0201
301139THRHBH3.8490.0201
302139THRHG21H0.7860.0201
303139THRHG22H0.7860.0201
304139THRHG23H0.7860.0201
305139THRCAC59.5610.31
306139THRCBC72.5010.31
307139THRCG2C20.9010.31
308140ALAHAH4.9930.0201
309140ALAHB1H0.9780.0201
310140ALAHB2H0.9780.0201
311140ALAHB3H0.9780.0201
312140ALACAC49.8930.31
313140ALACBC22.7360.31
314141ALAHAH4.9410.0201
315141ALAHB1H1.2410.0201
316141ALAHB2H1.2410.0201
317141ALAHB3H1.2410.0201
318141ALACAC50.6900.31
319141ALACBC19.3510.31
320142ILEHAH5.2120.0201
321142ILEHBH1.1390.0201
322142ILEHG12H0.6660.0202
323142ILEHG13H0.8260.0202
324142ILEHG21H0.3610.0201
325142ILEHG22H0.3610.0201
326142ILEHG23H0.3610.0201
327142ILEHD11H0.0150.0201
328142ILEHD12H0.0150.0201
329142ILEHD13H0.0150.0201
330142ILECAC58.0390.31
331142ILECBC41.4000.31
332142ILECG1C24.9970.31
333142ILECG2C18.5980.31
334142ILECD1C14.3320.31
335143THRHAH4.7820.0201
336143THRHBH3.7330.0201
337143THRHG21H0.9420.0201
338143THRHG22H0.9420.0201
339143THRHG23H0.9420.0201
340143THRCAC59.8810.31
341143THRCBC70.4460.31
342143THRCG2C21.8370.31
343144PHEHAH4.4740.0201
344144PHEHB2H2.6330.0202
345144PHEHB3H2.8530.0202
346144PHEHD1H7.1130.0201
347144PHEHD2H7.1130.0201
348144PHEHE1H7.3170.0201
349144PHEHE2H7.3170.0201
350144PHECAC59.0650.31
351144PHECBC39.5490.31
352144PHECD1C131.9080.31
353144PHECD2C131.9080.31
354144PHECE1C131.4010.31
355144PHECE2C131.4010.31
356145ALAHAH4.0610.0201
357145ALAHB1H1.2550.0201
358145ALAHB2H1.2550.0201
359145ALAHB3H1.2550.0201
360145ALACAC53.2620.31
361145ALACBC18.2700.31
362146GLYHA2H3.2970.0202
363146GLYHA3H3.8110.0202
364146GLYCAC45.7540.31
365147TYRHAH4.1590.0201
366147TYRHB2H2.1160.0202
367147TYRHB3H2.8100.0202
368147TYRHD1H6.4850.0201
369147TYRHD2H6.4850.0201
370147TYRHE1H6.3150.0201
371147TYRHE2H6.3150.0201
372147TYRCAC58.8580.31
373147TYRCBC39.9380.31
374147TYRCD1C132.5420.31
375147TYRCD2C132.5420.31
376147TYRCE1C117.7510.31
377147TYRCE2C117.7510.31
378148GLYHA2H3.7140.0202
379148GLYHA3H3.8720.0202
380148GLYCAC45.7380.31
381149ASNHAH4.6870.0201
382149ASNHB2H2.7520.0202
383149ASNHB3H3.0220.0202
384149ASNCAC53.2860.31
385149ASNCBC38.2380.31
386150ALAHAH5.2820.0201
387150ALAHB1H1.2940.0201
388150ALAHB2H1.2940.0201
389150ALAHB3H1.2940.0201
390150ALACAC51.1020.31
391150ALACBC21.3800.31
392151GLUHAH4.7110.0201
393151GLUHB2H2.1060.0201
394151GLUHG2H2.3380.0202
395151GLUHG3H2.3730.0202
396151GLUCAC55.1370.31
397151GLUCBC33.9050.31
398151GLUCGC35.8470.31
399152VALHAH4.8600.0201
400152VALHBH1.8240.0201
401152VALHG11H0.7420.0202
402152VALHG12H0.7420.0202
403152VALHG13H0.7420.0202
404152VALHG21H0.8490.0202
405152VALHG22H0.8490.0202
406152VALHG23H0.8490.0202
407152VALCAC61.8360.31
408152VALCBC32.5560.31
409152VALCG1C20.9450.31
410152VALCG2C21.3840.31
411153THRHAH5.1170.0201
412153THRHBH3.7530.0201
413153THRHG21H1.0050.0201
414153THRHG22H1.0050.0201
415153THRHG23H1.0050.0201
416153THRCAC58.2170.31
417153THRCBC73.3060.31
418153THRCG2C19.8420.31
419154PROHAH4.5480.0201
420154PROHB2H1.7110.0201
421154PROHG2H1.8750.0202
422154PROHG3H2.0250.0202
423154PROHD2H3.7160.0202
424154PROHD3H3.8990.0202
425154PROCAC63.3130.31
426154PROCGC28.0010.31
427154PROCDC52.2130.31
428155LEUHAH3.6080.0201
429155LEUHB2H1.4010.0202
430155LEUHB3H1.5100.0202
431155LEUHGH1.1460.0201
432155LEUHD11H0.7340.0202
433155LEUHD12H0.7340.0202
434155LEUHD13H0.7340.0202
435155LEUHD21H0.6030.0202
436155LEUHD22H0.6030.0202
437155LEUHD23H0.6030.0202
438155LEUCAC57.6180.31
439155LEUCBC42.2640.31
440155LEUCGC27.4750.31
441155LEUCD1C25.3330.31
442155LEUCD2C23.7110.31
443156LEUHAH4.1730.0201
444156LEUHB3H1.5870.0201
445156LEUHGH1.7170.0201
446156LEUHD11H0.9010.0202
447156LEUHD12H0.9010.0202
448156LEUHD13H0.9010.0202
449156LEUHD21H0.8970.0202
450156LEUHD22H0.8970.0202
451156LEUHD23H0.8970.0202
452156LEUCAC56.6310.31
453156LEUCBC42.0420.31
454156LEUCGC26.9890.31
455156LEUCD1C24.6740.31
456156LEUCD2C23.8250.31
457157ASNHB2H2.5470.0202
458157ASNHB3H2.7240.0202
459157ASNCBC38.8720.31
460158LEUHAH4.4790.0201
461158LEUHB2H0.4010.0202
462158LEUHB3H1.5100.0202
463158LEUHGH1.4610.0201
464158LEUHD11H-0.2050.0202
465158LEUHD12H-0.2050.0202
466158LEUHD13H-0.2050.0202
467158LEUHD21H0.4080.0202
468158LEUHD22H0.4080.0202
469158LEUHD23H0.4080.0202
470158LEUCAC54.4790.31
471158LEUCBC42.2190.31
472158LEUCGC25.9130.31
473158LEUCD1C24.5660.31
474158LEUCD2C23.0070.31
475159LYSHAH5.1340.0201
476159LYSHB2H1.6010.0202
477159LYSHB3H1.9040.0202
478159LYSHG2H1.4190.0201
479159LYSHD2H1.6140.0201
480159LYSCAC53.0000.31
481159LYSCBC34.4750.31
482159LYSCGC24.6810.31
483159LYSCDC28.7980.31
484160PROHAH4.8360.0201
485160PROHB2H1.7630.0202
486160PROHB3H2.1120.0202
487160PROHG2H1.5810.0202
488160PROHG3H1.8900.0202
489160PROHD2H3.5910.0202
490160PROHD3H3.7290.0202
491160PROCAC62.6600.31
492160PROCBC32.2480.31
493160PROCGC27.4440.31
494160PROCDC50.6950.31
495161VALHAH3.8530.0201
496161VALHBH1.9540.0201
497161VALHG11H0.8260.0202
498161VALHG12H0.8260.0202
499161VALHG13H0.8260.0202
500161VALHG21H0.8380.0202
501161VALHG22H0.8380.0202
502161VALHG23H0.8380.0202
503161VALCAC62.7730.31
504161VALCBC32.1720.31
505161VALCG1C20.9100.31
506161VALCG2C21.3290.31
507162GLUHAH4.2690.0201
508162GLUHB2H1.8490.0202
509162GLUHB3H2.0070.0202
510162GLUHG2H2.1650.0201
511162GLUCAC56.0690.31
512162GLUCBC30.6530.31
513162GLUCGC36.2600.31
514163GLUHAH4.2360.0201
515163GLUCAC56.3560.31
51621ZTIH1H8.1950.0201
51721ZTIH2H7.5750.0201
51821ZTIH31H7.0660.0201
51921ZTIH4H7.4970.0201
52021ZTIH7H7.0990.0201

Release date
2023-11-06
Citation
Pharmacological perturbation of the phase-separating protein SMNDC1
Enders, L., Siklos, M., Borggrafe, J., Gaussmann, S., Koren, A., Malik, M., Tomek, T., Schuster, M., Reinis, J., Hahn, E., Rukavina, A., Reicher, A., Casteels, T., Bock, C., Winter, G.E., Hannich, J.T., Sattler, M., Kubicek, S.
Nat. Commun. (2023), 14, 4504-4504, PubMed 37587144 , DOI 10.1038/s41467-023-40124-0 ,
Related entities 1. Survival of motor neuron-related-splicing factor 30, entity 1, : 1 : 4 : 2 : 4 : 100 entities Detail
Interaction partners 1. Survival of motor neuron-related-splicing factor 30, entity 1, : 32 interactors Detail
Experiments performed 7 experiments Detail
Chemical shift validation 4 contents Detail
Keywords RNA BINDING PROTEIN, complex, inhibitor, tudor domain