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NMR shows why a small chemical change almost abolishes the antimicrobial activity of GccF
Authors
Harjes, E., Edwards, P.J.B., Norris, G.
Assembly
Bacteriocin glycocin F
Entity
1. Bacteriocin glycocin F, entity 1 (polymer, Thiol state: disulfide and other bound), 43 monomers, 4695.237 Da Detail

KPAWCWYTLA MCGAGYDXGT CDYMYSHCFG IKHHSSGSSS YHC


2. Bacteriocin glycocin F, entity NAG (non-polymer), 221.208 × 2 Da
Total weight
5137.653 Da
Max. entity weight
4695.237 Da
Entity Connection
disulfide 2, covalent 2 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS5:SG1:CYS28:SG
2disulfidesing1:CYS12:SG1:CYS21:SG
3covalentsing1:EW618:OG2:NAG1:C1
4covalentsing1:CYS43:SG2:NAG1:C1

Source organism
Lactiplantibacillus plantarum
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 241, 13C: 128, 15N: 43 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111LYSHG2H1.3340.0201
211LYSHG3H1.3340.0201
311LYSHE3H2.8300.0201
411LYSCAC51.6500.31
511LYSCBC29.2700.31
611LYSCGC21.0180.31
711LYSCDC26.1300.31
811LYSCEC39.3600.31
912PROHAH4.2480.0201
1012PROHB2H1.9750.0202
1112PROHB3H1.3020.0202
1212PROHG2H1.7910.0202
1312PROHG3H1.7150.0202
1412PROHD2H3.5840.0202
1512PROHD3H3.3370.0202
1612PROCAC60.2930.31
1712PROCBC29.1420.31
1812PROCGC24.8300.31
1912PROCDC47.7330.31
2013ALAHH8.2120.0201
2113ALAHAH4.2040.0201
2213ALAHB1H1.3800.0201
2313ALAHB2H1.3800.0201
2413ALAHB3H1.3800.0201
2513ALACAC50.7970.31
2613ALACBC16.0160.31
2713ALANN124.5460.31
2814TRPHH7.6110.0201
2914TRPHAH4.4300.0201
3014TRPHB2H3.2810.0202
3114TRPHB3H3.1800.0202
3214TRPHD1H7.2170.0201
3314TRPHE1H10.0060.0201
3414TRPHE3H7.4070.0201
3514TRPHZ2H7.3370.0201
3614TRPHZ3H6.9400.0201
3714TRPHH2H7.0140.0201
3814TRPCAC56.2840.31
3914TRPCBC26.2980.31
4014TRPCD1C124.7140.31
4114TRPCE3C118.0220.31
4214TRPCZ2C111.8120.31
4314TRPCZ3C119.0830.31
4414TRPCH2C121.5660.31
4514TRPNN116.2870.31
4614TRPNE1N129.6800.31
4715CYSHH7.9350.0201
4815CYSHAH4.2320.0201
4915CYSHB2H2.6750.0202
5015CYSHB3H2.4590.0202
5115CYSCAC55.1910.31
5215CYSCBC36.5030.31
5315CYSNN117.6360.31
5416TRPHH7.5360.0201
5516TRPHAH4.3850.0201
5616TRPHB2H3.2290.0202
5716TRPHB3H3.1260.0202
5816TRPHD1H7.0340.0201
5916TRPHE1H9.8670.0201
6016TRPHE3H7.3990.0201
6116TRPHZ2H7.3720.0201
6216TRPHZ3H6.9610.0201
6316TRPHH2H7.1150.0201
6416TRPCAC57.0140.31
6516TRPCBC26.6530.31
6616TRPCD1C124.3540.31
6716TRPCE3C118.0110.31
6816TRPCZ2C111.7300.31
6916TRPCZ3C119.1900.31
7016TRPCH2C121.6750.31
7116TRPNN120.1140.31
7216TRPNE1N128.3540.31
7317TYRHH7.7320.0201
7417TYRHAH4.2670.0201
7517TYRHB2H3.0420.0202
7617TYRHB3H2.9160.0202
7717TYRHD1H7.0750.0203
7817TYRHD2H7.0250.0203
7917TYRHE1H6.7420.0201
8017TYRCAC57.5760.31
8117TYRCBC35.9170.31
8217TYRCD1C130.2920.31
8317TYRCE1C115.4780.31
8417TYRNN117.6560.31
8518THRHH7.8250.0201
8618THRHAH3.8260.0201
8718THRHBH4.0850.0201
8818THRHG21H1.1160.0201
8918THRHG22H1.1160.0201
9018THRHG23H1.1160.0201
9118THRCAC63.2590.31
9218THRCBC66.0340.31
9318THRCG2C19.5810.31
9418THRNN113.7740.31
9519LEUHH7.7400.0201
9619LEUHAH3.9490.0201
9719LEUHB2H1.6980.0202
9819LEUHB3H1.6450.0202
9919LEUHGH1.5920.0201
10019LEUHD11H0.7910.0201
10119LEUHD12H0.7910.0201
10219LEUHD13H0.7910.0201
10319LEUHD21H0.7670.0201
10419LEUHD22H0.7670.0201
10519LEUHD23H0.7670.0201
10619LEUCAC55.5270.31
10719LEUCBC38.7800.31
10819LEUCGC24.3750.31
10919LEUCD1C21.7820.31
11019LEUNN121.6890.31
111110ALAHH7.5950.0201
112110ALAHAH4.0130.0201
113110ALAHB1H1.3000.0201
114110ALAHB2H1.3000.0201
115110ALAHB3H1.3000.0201
116110ALACAC51.8320.31
117110ALACBC15.5900.31
118110ALANN120.3180.31
119111METHH7.7850.0201
120111METHAH4.2470.0201
121111METHB2H1.9580.0202
122111METHB3H1.9100.0202
123111METHG2H2.4400.0202
124111METHG3H2.3350.0202
125111METHE1H1.9710.0201
126111METHE2H1.9710.0201
127111METHE3H1.9710.0201
128111METCAC54.3070.31
129111METCBC30.1480.31
130111METCGC29.5630.31
131111METCEC0.5070.31
132111METNN114.9180.31
133112CYSHH8.1370.0201
134112CYSHAH4.5360.0201
135112CYSHB2H3.0940.0202
136112CYSHB3H2.9740.0202
137112CYSCAC55.5310.31
138112CYSCBC38.2310.31
139112CYSNN117.2490.31
140113GLYHH8.0910.0201
141113GLYHA2H3.8770.0202
142113GLYHA3H3.8160.0202
143113GLYCAC43.4430.31
144113GLYNN108.5550.31
145114ALAHH7.6320.0201
146114ALAHAH4.3080.0201
147114ALAHB1H1.3570.0201
148114ALAHB2H1.3570.0201
149114ALAHB3H1.3570.0201
150114ALACAC49.5540.31
151114ALACBC16.4170.31
152114ALANN121.2440.31
153115GLYHH7.7040.0201
154115GLYHA2H3.9310.0202
155115GLYHA3H3.6810.0202
156115GLYCAC42.8370.31
157115GLYNN104.7960.31
158116TYRHH7.5740.0201
159116TYRHAH4.4540.0201
160116TYRHB2H2.9490.0202
161116TYRHB3H2.8560.0202
162116TYRHD1H6.9980.0201
163116TYRHE1H6.7140.0201
164116TYRCAC55.2640.31
165116TYRCBC36.1330.31
166116TYRCD1C130.4280.31
167116TYRCE1C115.4450.31
168116TYRNN118.2880.31
169117ASPHH8.1190.0201
170117ASPHAH4.4960.0201
171117ASPHB2H2.9450.0202
172117ASPHB3H2.6710.0202
173117ASPCAC50.5180.31
174117ASPCBC34.8720.31
175117ASPNN117.9080.31
176118EW6HH8.1060.0201
177118EW6NN127.0600.31
178118EW6CAC55.5670.31
179118EW6CBC71.1400.31
180118EW6HB2H3.9130.0202
181118EW6HB3H3.6260.0202
182119GLYHH8.0440.0201
183119GLYHA2H3.9010.0202
184119GLYHA3H3.7750.0202
185119GLYCAC44.6950.31
186119GLYNN107.2140.31
187120THRHH7.8620.0201
188120THRHAH4.0810.0201
189120THRHBH4.0970.0201
190120THRHG21H1.1830.0201
191120THRHG22H1.1830.0201
192120THRHG23H1.1830.0201
193120THRCAC62.8590.31
194120THRCBC66.0860.31
195120THRCG2C19.6930.31
196120THRNN117.0320.31
197121CYSHH8.0460.0201
198121CYSHAH4.2480.0201
199121CYSHB2H3.1130.0202
200121CYSHB3H2.9620.0202
201121CYSCAC56.9650.31
202121CYSCBC38.0550.31
203121CYSNN119.6780.31
204122ASPHH8.5660.0201
205122ASPHAH4.4640.0201
206122ASPHB2H2.9730.0202
207122ASPHB3H2.8620.0202
208122ASPCAC53.9200.31
209122ASPCBC34.8910.31
210122ASPNN118.9370.31
211123TYRHH8.0980.0201
212123TYRHAH4.1850.0201
213123TYRHB2H3.1740.0202
214123TYRHB3H3.1070.0202
215123TYRHD1H6.9850.0203
216123TYRHD2H6.9630.0203
217123TYRHE1H6.5700.0201
218123TYRCAC59.0020.31
219123TYRCBC35.6880.31
220123TYRCD1C130.3100.31
221123TYRCE1C115.3150.31
222123TYRNN121.6900.31
223124METHH8.3920.0201
224124METHAH4.1120.0201
225124METHB2H2.2470.0202
226124METHB3H2.1780.0202
227124METHG2H2.6770.0202
228124METHG3H2.5490.0202
229124METHE1H1.8160.0201
230124METHE2H1.8160.0201
231124METHE3H1.8160.0201
232124METCAC56.3360.31
233124METCBC29.0140.31
234124METCGC29.4910.31
235124METCEC14.4590.31
236124METNN120.1590.31
237125TYRHH8.8710.0201
238125TYRHAH4.1520.0201
239125TYRHB2H3.1090.0202
240125TYRHB3H3.0480.0202
241125TYRHD1H6.9740.0203
242125TYRHD2H6.9660.0203
243125TYRHE1H6.4960.0201
244125TYRCAC59.4970.31
245125TYRCBC35.6220.31
246125TYRCD1C130.4260.31
247125TYRCE1C115.1700.31
248125TYRNN119.9780.31
249126SERHH7.9810.0201
250126SERHAH4.1200.0201
251126SERHB2H3.8010.0201
252126SERHB3H3.8010.0201
253126SERCAC58.2490.31
254126SERCBC60.6350.31
255126SERNN112.4430.31
256127HISHH7.8320.0201
257127HISHAH4.2770.0201
258127HISHB2H3.0800.0202
259127HISHB3H2.7060.0202
260127HISHD2H6.9620.0201
261127HISHE1H8.1940.0201
262127HISCAC55.6040.31
263127HISCBC25.6780.31
264127HISCD2C116.9650.31
265127HISCE1C133.5110.31
266127HISNN116.3900.31
267128CYSHH8.1040.0201
268128CYSHAH4.2690.0201
269128CYSHB2H2.7490.0202
270128CYSHB3H1.9470.0202
271128CYSCAC55.3700.31
272128CYSCBC39.5690.31
273128CYSNN115.7070.31
274129PHEHH7.6520.0201
275129PHEHAH4.5980.0201
276129PHEHB2H3.1450.0202
277129PHEHB3H2.5590.0202
278129PHEHD1H6.9990.0203
279129PHEHD2H6.9860.0203
280129PHEHE1H7.0340.0203
281129PHEHE2H6.9970.0203
282129PHEHZH6.7700.0201
283129PHECAC55.0520.31
284129PHECBC37.7140.31
285129PHECD1C129.4610.31
286129PHECE1C128.3770.31
287129PHECZC126.6350.31
288129PHENN116.0280.31
289130GLYHH7.6270.0201
290130GLYHA2H3.8620.0201
291130GLYCAC43.1020.31
292130GLYNN107.9540.31
293131ILEHH7.6030.0201
294131ILEHAH4.0570.0201
295131ILEHBH1.7040.0201
296131ILEHG12H1.3600.0202
297131ILEHG13H1.0440.0202
298131ILEHG21H0.7330.0201
299131ILEHG22H0.7330.0201
300131ILEHG23H0.7330.0201
301131ILEHD11H0.7540.0201
302131ILEHD12H0.7540.0201
303131ILEHD13H0.7540.0201
304131ILECAC58.1730.31
305131ILECBC36.2820.31
306131ILECG1C24.5570.31
307131ILECG2C14.6360.31
308131ILECD1C10.2790.31
309131ILENN118.5520.31
310132LYSHH7.9780.0201
311132LYSHAH4.1960.0201
312132LYSHB2H1.6150.0202
313132LYSHB3H1.5670.0202
314132LYSHG2H1.2750.0202
315132LYSHG3H1.2360.0202
316132LYSHD2H1.5230.0201
317132LYSHD3H1.5230.0201
318132LYSHE2H2.8350.0201
319132LYSHE3H2.8350.0201
320132LYSCAC53.2190.31
321132LYSCBC30.4450.31
322132LYSCGC22.0870.31
323132LYSCDC26.2440.31
324132LYSCEC39.3970.31
325132LYSNN124.0450.31
326133HISHH8.1290.0201
327133HISHAH4.5370.0201
328133HISHB2H3.0850.0202
329133HISHB3H2.9760.0202
330133HISHD2H7.1510.0201
331133HISHE1H8.4540.0201
332133HISCAC52.3790.31
333133HISCBC26.5880.31
334133HISCD2C117.4530.31
335133HISCE1C133.7440.31
336133HISNN118.6130.31
337134HISHH8.2590.0201
338134HISHAH4.6100.0201
339134HISHB2H3.1290.0202
340134HISHB3H3.0340.0202
341134HISHD2H7.1950.0201
342134HISHE1H8.4910.0201
343134HISCAC52.4610.31
344134HISCBC26.6530.31
345134HISCD2C117.6300.31
346134HISCE1C133.7830.31
347134HISNN119.7560.31
348135SERHH8.1910.0201
349135SERHAH4.4050.0201
350135SERHB2H3.7970.0202
351135SERHB3H3.7460.0202
352135SERCAC55.4130.31
353135SERCBC61.3260.31
354135SERNN117.3740.31
355136SERHH8.2140.0201
356136SERHAH4.4100.0201
357136SERHB2H3.8170.0202
358136SERHB3H3.7840.0202
359136SERCAC55.6820.31
360136SERCBC61.3260.31
361136SERNN117.3440.31
362137GLYHH8.1870.0201
363137GLYHA2H3.9300.0202
364137GLYHA3H3.9180.0202
365137GLYCAC42.6220.31
366137GLYNN109.8220.31
367138SERHH7.9910.0201
368138SERHAH4.4070.0201
369138SERHB2H3.8020.0202
370138SERHB3H3.7370.0202
371138SERCAC55.5950.31
372138SERCBC61.3260.31
373138SERNN114.8740.31
374139SERHH8.0970.0201
375139SERHAH4.3990.0201
376139SERHB2H3.8090.0202
377139SERHB3H3.7450.0202
378139SERCAC55.7820.31
379139SERCBC61.2030.31
380139SERNN116.8960.31
381140SERHH7.9400.0201
382140SERHAH4.3200.0201
383140SERHB2H3.6640.0202
384140SERHB3H3.6760.0202
385140SERCAC55.6910.31
386140SERCBC61.0700.31
387140SERNN116.3370.31
388141TYRHH7.7980.0201
389141TYRHAH4.4330.0201
390141TYRHB2H2.9260.0202
391141TYRHB3H2.8010.0202
392141TYRHD1H7.0370.0203
393141TYRHD2H7.0270.0203
394141TYRCAC55.1970.31
395141TYRCBC36.0800.31
396141TYRCD2C130.1700.31
397141TYRNN120.6730.31
398142HISHH7.8690.0201
399142HISHAH4.6240.0201
400142HISHB2H3.1460.0202
401142HISHB3H3.0540.0202
402142HISHD2H7.1220.0201
403142HISCAC52.0730.31
404142HISCBC27.0060.31
405142HISNN118.5720.31
406143CYSHH7.9490.0201
407143CYSHAH4.4210.0201
408143CYSHB2H3.1970.0202
409143CYSHB3H2.9040.0202
410143CYSCAC53.6840.31
411143CYSCBC31.3100.31
412143CYSNN122.2190.31

Release date
2022-09-05
Citation
NMR Shows Why a Small Chemical Change Almost Abolishes the Antimicrobial Activity of Glycocin F
Harjes, E., Edwards, P., Bisset, S.W., Patchett, M.L., Jameson, G.B., Yang, S.H., Navo, C.D., Harris, P., Brimble, M.A., Norris, G.E.
Biochemistry (2023), 62, 2669-2676, PubMed 37531216 , DOI 10.1021/acs.biochem.3c00197 ,
Related entities 1. Bacteriocin glycocin F, entity 1, : 1 : 2 : 5 entities Detail
Experiments performed 6 experiments Detail
nullKeywords ANTIMICROBIAL PROTEIN, GccF, antimicrobial, bacteriostatic