Search

NMR structure of Casocidin-I antimicrobial peptide in 60% TFE
Authors
Mercurio, F.A., Leone, M.
Assembly
Alpha-S2-casein
Entity
1. Alpha-S2-casein (polymer, Thiol state: not present), 39 monomers, 4869.617 Da Detail

KTKLTEEEKN RLNFLKKISQ RYQKFALPQY LKTVYQHQK


Formula weight
4869.617 Da
Source organism
Bos taurus
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 322 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111LYSHAH4.170.011
211LYSHB2H1.980.011
311LYSHB3H1.980.011
411LYSHG2H1.550.011
511LYSHG3H1.550.011
611LYSHD2H1.790.011
711LYSHD3H1.790.011
811LYSHE2H3.050.011
911LYSHE3H3.050.011
1012THRHH8.570.011
1112THRHAH4.560.011
1212THRHBH4.340.011
1312THRHG21H1.290.011
1412THRHG22H1.290.011
1512THRHG23H1.290.011
1613LYSHH8.470.011
1713LYSHAH4.350.011
1813LYSHB2H1.920.012
1913LYSHB3H1.850.012
2013LYSHG2H1.520.011
2113LYSHG3H1.520.011
2213LYSHD2H1.760.011
2313LYSHD3H1.760.011
2413LYSHE2H3.040.011
2513LYSHE3H3.040.011
2614LEUHH7.970.011
2714LEUHAH4.450.011
2814LEUHB2H1.700.012
2914LEUHB3H1.670.012
3014LEUHGH1.680.011
3114LEUHD11H0.950.012
3214LEUHD12H0.950.012
3314LEUHD13H0.950.012
3414LEUHD21H0.910.012
3514LEUHD22H0.910.012
3614LEUHD23H0.910.012
3715THRHH7.930.011
3815THRHAH4.310.011
3915THRHBH4.550.011
4015THRHG21H1.370.011
4115THRHG22H1.370.011
4215THRHG23H1.370.011
4316GLUHH8.450.011
4416GLUHAH4.120.011
4516GLUHB2H2.200.011
4616GLUHB3H2.200.011
4716GLUHG2H2.530.011
4816GLUHG3H2.530.011
4917GLUHH8.350.011
5017GLUHAH4.180.011
5117GLUHB2H2.250.012
5217GLUHB3H2.130.012
5317GLUHG2H2.560.012
5417GLUHG3H2.520.012
5518GLUHH8.060.011
5618GLUHAH4.070.011
5718GLUHB2H2.410.012
5818GLUHB3H2.120.012
5918GLUHG2H2.550.011
6018GLUHG3H2.550.011
6119LYSHH8.320.011
6219LYSHAH3.980.011
6319LYSHB2H1.960.011
6419LYSHB3H1.960.011
6519LYSHG2H1.460.012
6619LYSHG3H1.440.012
6719LYSHD2H1.720.011
6819LYSHD3H1.720.011
6919LYSHE2H2.960.011
7019LYSHE3H2.960.011
71110ASNHH8.250.011
72110ASNHAH4.560.011
73110ASNHB2H3.010.012
74110ASNHB3H2.850.012
75110ASNHD21H7.430.012
76110ASNHD22H6.770.012
77111ARGHH8.150.011
78111ARGHAH4.190.011
79111ARGHB2H2.070.012
80111ARGHB3H2.030.012
81111ARGHG2H1.910.012
82111ARGHG3H1.730.012
83111ARGHD2H3.240.011
84111ARGHD3H3.240.011
85111ARGHEH7.200.011
86112LEUHH8.420.011
87112LEUHAH4.210.011
88112LEUHB2H1.920.012
89112LEUHB3H1.900.012
90112LEUHGH1.630.011
91112LEUHD11H0.950.012
92112LEUHD12H0.950.012
93112LEUHD13H0.950.012
94112LEUHD21H0.990.012
95112LEUHD22H0.990.012
96112LEUHD23H0.990.012
97113ASNHH8.300.011
98113ASNHAH4.500.011
99113ASNHB2H3.050.012
100113ASNHB3H2.850.012
101113ASNHD21H7.670.012
102113ASNHD22H6.770.012
103114PHEHH8.150.011
104114PHEHAH4.340.011
105114PHEHB2H3.420.012
106114PHEHB3H3.350.012
107114PHEHD1H7.260.013
108114PHEHD2H7.260.013
109114PHEHE1H7.300.013
110114PHEHE2H7.300.013
111115LEUHH8.500.011
112115LEUHAH4.030.011
113115LEUHB2H2.010.012
114115LEUHB3H1.950.012
115115LEUHGH1.660.011
116115LEUHD11H0.980.012
117115LEUHD12H0.980.012
118115LEUHD13H0.980.012
119115LEUHD21H0.940.012
120115LEUHD22H0.940.012
121115LEUHD23H0.940.012
122116LYSHH8.510.011
123116LYSHAH3.980.011
124116LYSHB2H2.060.012
125116LYSHB3H1.980.012
126116LYSHG2H1.460.011
127116LYSHG3H1.460.011
128116LYSHD2H1.720.011
129116LYSHD3H1.720.011
130116LYSHE2H2.980.011
131116LYSHE3H2.980.011
132117LYSHH7.880.011
133117LYSHAH4.110.011
134117LYSHB2H2.070.012
135117LYSHB3H2.000.012
136117LYSHG2H1.480.011
137117LYSHG3H1.480.011
138117LYSHD2H1.730.011
139117LYSHD3H1.730.011
140117LYSHE2H3.010.011
141117LYSHE3H3.010.011
142118ILEHH8.340.011
143118ILEHAH3.870.011
144118ILEHBH1.830.011
145118ILEHG12H1.310.012
146118ILEHG13H1.130.012
147118ILEHG21H0.820.011
148118ILEHG22H0.820.011
149118ILEHG23H0.820.011
150118ILEHD11H0.710.011
151118ILEHD12H0.710.011
152118ILEHD13H0.710.011
153119SERHH8.210.011
154119SERHAH4.280.011
155119SERHB2H4.120.012
156119SERHB3H4.050.012
157120GLNHH7.880.011
158120GLNHAH4.210.011
159120GLNHB2H2.270.012
160120GLNHB3H2.210.012
161120GLNHG2H2.630.012
162120GLNHG3H2.460.012
163120GLNHE21H7.340.012
164120GLNHE22H6.670.012
165121ARGHH7.860.011
166121ARGHAH4.130.011
167121ARGHB2H1.930.011
168121ARGHB3H1.930.011
169121ARGHG2H1.620.011
170121ARGHG3H1.620.011
171121ARGHD2H3.140.011
172121ARGHD3H3.140.011
173121ARGHEH7.110.011
174122TYRHH8.150.011
175122TYRHAH4.450.011
176122TYRHB2H3.240.012
177122TYRHB3H3.090.012
178122TYRHD1H7.150.013
179122TYRHD2H7.150.013
180122TYRHE1H6.810.013
181122TYRHE2H6.810.013
182123GLNHH8.130.011
183123GLNHAH4.070.011
184123GLNHB2H2.210.012
185123GLNHB3H2.170.012
186123GLNHG2H2.560.012
187123GLNHG3H2.410.012
188123GLNHE21H7.110.012
189123GLNHE22H6.540.012
190124LYSHH7.870.011
191124LYSHAH4.130.011
192124LYSHB2H1.800.012
193124LYSHB3H1.750.012
194124LYSHG2H1.370.012
195124LYSHG3H1.350.012
196124LYSHD2H1.630.011
197124LYSHD3H1.630.011
198124LYSHE2H2.960.011
199124LYSHE3H2.960.011
200125PHEHH7.770.011
201125PHEHAH4.610.011
202125PHEHB2H3.230.012
203125PHEHB3H3.100.012
204125PHEHD1H7.300.013
205125PHEHD2H7.300.013
206125PHEHE1H7.260.013
207125PHEHE2H7.260.013
208126ALAHH8.080.011
209126ALAHAH4.290.011
210126ALAHB1H1.380.011
211126ALAHB2H1.380.011
212126ALAHB3H1.380.011
213127LEUHH7.980.011
214127LEUHAH4.440.011
215127LEUHB2H1.710.012
216127LEUHB3H1.700.012
217127LEUHGH1.890.011
218127LEUHD11H1.070.012
219127LEUHD12H1.070.012
220127LEUHD13H1.070.012
221127LEUHD21H1.000.012
222127LEUHD22H1.000.012
223127LEUHD23H1.000.012
224128PROHAH4.290.011
225128PROHB2H2.350.012
226128PROHB3H1.870.012
227128PROHG2H2.210.012
228128PROHG3H1.990.012
229128PROHD2H3.720.012
230128PROHD3H3.630.012
231129GLNHH7.520.011
232129GLNHAH4.120.011
233129GLNHB2H2.200.011
234129GLNHB3H2.200.011
235129GLNHG2H2.430.012
236129GLNHG3H2.400.012
237129GLNHE21H7.160.012
238129GLNHE22H6.490.012
239130TYRHH8.260.011
240130TYRHAH4.290.011
241130TYRHB2H3.270.012
242130TYRHB3H3.210.012
243130TYRHD1H7.050.013
244130TYRHD2H7.050.013
245130TYRHE1H6.770.013
246130TYRHE2H6.770.013
247131LEUHH8.570.011
248131LEUHAH3.960.011
249131LEUHB2H1.890.012
250131LEUHB3H1.480.012
251131LEUHGH1.990.011
252131LEUHD11H0.950.012
253131LEUHD12H0.950.012
254131LEUHD13H0.950.012
255131LEUHD21H0.920.012
256131LEUHD22H0.920.012
257131LEUHD23H0.920.012
258132LYSHH7.990.011
259132LYSHAH4.040.011
260132LYSHB2H1.980.012
261132LYSHB3H1.960.012
262132LYSHG2H1.470.011
263132LYSHG3H1.470.011
264132LYSHD2H1.720.011
265132LYSHD3H1.720.011
266132LYSHE2H2.980.011
267132LYSHE3H2.980.011
268133THRHH7.760.011
269133THRHAH4.130.011
270133THRHBH4.410.011
271133THRHG21H1.290.011
272133THRHG22H1.290.011
273133THRHG23H1.290.011
274134VALHH8.130.011
275134VALHAH3.640.011
276134VALHBH2.010.011
277134VALHG11H0.770.012
278134VALHG12H0.770.012
279134VALHG13H0.770.012
280134VALHG21H0.710.012
281134VALHG22H0.710.012
282134VALHG23H0.710.012
283135TYRHH8.350.011
284135TYRHAH4.300.011
285135TYRHB2H3.150.012
286135TYRHB3H3.130.012
287135TYRHD1H7.120.013
288135TYRHD2H7.120.013
289135TYRHE1H6.810.013
290135TYRHE2H6.810.013
291136GLNHH8.090.011
292136GLNHAH4.120.011
293136GLNHB2H2.210.012
294136GLNHB3H2.120.012
295136GLNHG2H2.550.012
296136GLNHG3H2.390.012
297136GLNHE21H7.200.012
298136GLNHE22H6.640.012
299137HISHH7.900.011
300137HISHAH4.580.011
301137HISHB2H3.450.012
302137HISHB3H3.220.012
303137HISHD2H7.420.011
304137HISHE1H8.550.011
305138GLNHH7.980.011
306138GLNHAH4.360.011
307138GLNHB2H2.180.012
308138GLNHB3H2.070.012
309138GLNHG2H2.480.012
310138GLNHG3H2.430.012
311138GLNHE21H7.220.012
312138GLNHE22H6.460.012
313139LYSHH7.630.011
314139LYSHAH4.310.011
315139LYSHB2H1.890.011
316139LYSHB3H1.890.011
317139LYSHG2H1.400.011
318139LYSHG3H1.400.011
319139LYSHD2H1.700.011
320139LYSHD3H1.700.011
321139LYSHE2H3.020.011
322139LYSHE3H3.020.011

Release date
2018-02-20
Citation
The antimicrobial peptides casocidins I and II: Solution structural studies in water and different membrane-mimetic environments
Mercurio, F.A., Scaloni, A., Caira, S., Leone, M.
Peptides (2018), 114, 50-58, PubMed 30243923 , DOI 10.1016/j.peptides.2018.09.004 ,
Related entities 1. Alpha-S2-casein, : 1 : 1 : 2 : 15 entities Detail
Experiments performed 3 experiments Detail
NMR combined restraints 4 contents Detail
Keywords ANTIMICROBIAL PROTEIN, Antimicrobial peptide, TFE