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NMR Solution Structure of Cter 27
Authors
Harvey, P.J., Dang, T.T., Craik, D.J.
Assembly
Cliotide T10
Entity
1. Cliotide T10 (polymer, Thiol state: all disulfide bound), 31 monomers, 3268.887 Da Detail

GIPCGESCVY IPCTVTALLG CSCKDKVCYK N


Formula weight
3268.887 Da
Entity Connection
disulfide 3, covalent 1 Detail

IDTypeValue orderAtom ID 1Atom ID 2
1disulfidesing1:CYS4:SG1:CYS21:SG
2disulfidesing1:CYS8:SG1:CYS23:SG
3disulfidesing1:CYS13:SG1:CYS28:SG
4covalentsing1:GLY1:N1:ASN31:C

Source organism
Clitoria ternatea
Exptl. method
solution NMR
Data set
assigned_chemical_shifts
Chemcal Shifts
1H: 205, 13C: 91, 15N: 28 assignments Detail
IDEntity IDSeq IDComp IDAtom IDAtom typeValVal errAmbig. code
111GLYHH8.6030.0021
211GLYHA2H4.1270.0012
311GLYHA3H3.4360.0022
411GLYCAC45.2290.0141
511GLYNN102.4070.0001
612ILEHH8.0890.0031
712ILEHAH4.8190.0111
812ILEHBH2.1930.0071
912ILEHG12H1.5910.0002
1012ILEHG13H1.3190.0082
1112ILEHG21H1.0340.0071
1212ILEHG22H1.0340.0071
1312ILEHG23H1.0340.0071
1412ILEHD11H0.9070.0061
1512ILEHD12H0.9070.0061
1612ILEHD13H0.9070.0061
1712ILECAC57.3870.0001
1812ILECBC39.2980.0001
1912ILECG1C26.9790.0121
2012ILECG2C16.5600.0001
2112ILECD1C11.6660.0001
2212ILENN123.5040.0001
2313PROHAH4.1830.0011
2413PROHB2H2.0520.0032
2513PROHB3H1.8950.0082
2613PROHG2H2.1690.0092
2713PROHG3H1.9850.0042
2813PROHD2H4.0770.0082
2913PROHD3H3.8890.0062
3013PROCBC32.0190.0001
3113PROCGC27.5940.0001
3213PROCDC51.6270.0071
3314CYSHH8.5420.0021
3414CYSHAH4.5870.0041
3514CYSHB2H3.2380.0022
3614CYSHB3H3.0960.0072
3714CYSCAC56.2220.0001
3814CYSCBC46.0830.0241
3914CYSNN118.4850.0001
4015GLYHH9.0270.0031
4115GLYHA2H4.0650.0022
4215GLYHA3H3.6840.0042
4315GLYCAC45.7260.0011
4415GLYNN109.5700.0001
4516GLUHH7.9150.0031
4616GLUHAH4.4680.0031
4716GLUHB2H1.8000.0012
4816GLUHB3H1.6400.0002
4916GLUHG2H2.7940.0082
5016GLUHG3H2.4110.0002
5116GLUCAC55.4160.0001
5216GLUCBC34.1580.0001
5316GLUCGC35.2580.0191
5416GLUNN121.1820.0001
5517SERHH8.7800.0011
5617SERHAH4.6660.0101
5717SERHB2H4.0110.0062
5817SERHB3H3.9490.0022
5917SERCAC57.5290.0001
6017SERCBC64.6500.0021
6117SERNN121.7830.0001
6218CYSHH8.1110.0031
6318CYSHAH5.1910.0121
6418CYSHB2H3.3300.0092
6518CYSHB3H3.0910.0052
6618CYSCAC55.2280.0001
6718CYSCBC46.0160.0001
6818CYSNN119.7030.0001
6919VALHH8.0010.0051
7019VALHAH3.4250.0071
7119VALHBH1.7170.0081
7219VALHG11H0.9930.0062
7319VALHG12H0.9930.0062
7419VALHG13H0.9930.0062
7519VALHG21H0.3220.0072
7619VALHG22H0.3220.0072
7719VALHG23H0.3220.0072
7819VALCAC65.8680.0001
7919VALCBC31.8460.0001
8019VALCG1C22.5060.0002
8119VALCG2C20.6690.0002
8219VALNN121.6530.0001
83110TYRHH8.2470.0031
84110TYRHAH4.6590.0031
85110TYRHB2H3.2950.0082
86110TYRHB3H2.8380.0062
87110TYRHD1H7.1590.0013
88110TYRHD2H7.1590.0013
89110TYRHE1H6.8440.0003
90110TYRHE2H6.8440.0003
91110TYRCAC58.3190.0001
92110TYRCBC39.8910.0121
93110TYRNN115.4610.0001
94111ILEHH7.4750.0041
95111ILEHAH4.6810.0081
96111ILEHBH1.9420.0071
97111ILEHG12H1.5050.0092
98111ILEHG13H1.0730.0112
99111ILEHG21H1.0160.0071
100111ILEHG22H1.0160.0071
101111ILEHG23H1.0160.0071
102111ILEHD11H0.9300.0031
103111ILEHD12H0.9300.0031
104111ILEHD13H0.9300.0031
105111ILECAC58.2950.0001
106111ILECBC40.6410.0001
107111ILECG1C25.8970.0331
108111ILECG2C18.1000.0001
109111ILECD1C13.5150.0001
110111ILENN117.4590.0001
111112PROHAH4.4530.0111
112112PROHB2H2.3200.0072
113112PROHB3H2.3200.0072
114112PROHG2H1.9050.0092
115112PROHG3H1.9050.0092
116112PROHD2H3.7110.0092
117112PROHD3H3.5560.0092
118112PROCAC62.2630.0001
119112PROCBC31.9230.0001
120112PROCGC27.4090.0001
121112PROCDC50.7250.0041
122113CYSHH8.1050.0021
123113CYSHAH3.9050.0011
124113CYSHB2H2.9730.0112
125113CYSHB3H2.7200.0092
126113CYSCAC57.6780.0001
127113CYSCBC40.0690.0201
128113CYSNN118.4250.0001
129114THRHH8.8710.0031
130114THRHAH4.1560.0041
131114THRHBH4.1130.0061
132114THRHG21H1.2470.0061
133114THRHG22H1.2470.0061
134114THRHG23H1.2470.0061
135114THRCAC65.0350.0001
136114THRCBC70.1630.0001
137114THRCG2C21.0150.0001
138114THRNN119.5320.0001
139115VALHH9.8340.0041
140115VALHAH3.9200.0131
141115VALHBH2.0470.0121
142115VALHG11H1.0420.0052
143115VALHG12H1.0420.0052
144115VALHG13H1.0420.0052
145115VALHG21H0.9320.0062
146115VALHG22H0.9320.0062
147115VALHG23H0.9320.0062
148115VALCAC65.7060.0001
149115VALCBC32.1450.0001
150115VALCG1C22.0450.0002
151115VALCG2C21.1830.0002
152116THRHH9.5160.0021
153116THRHAH4.2360.0121
154116THRHBH4.8540.0121
155116THRHG21H1.0830.0111
156116THRHG22H1.0830.0111
157116THRHG23H1.0830.0111
158116THRCAC63.5480.0001
159116THRCBC69.1480.0001
160116THRCG2C22.0900.0001
161117ALAHH7.7320.0051
162117ALAHAH4.4470.0011
163117ALAHB1H1.4580.0061
164117ALAHB2H1.4580.0061
165117ALAHB3H1.4580.0061
166117ALACAC55.0850.0001
167117ALACBC18.0350.0001
168117ALANN127.9710.0001
169118LEUHH7.6200.0041
170118LEUHAH4.2030.0121
171118LEUHB2H1.7770.0082
172118LEUHB3H1.6720.0042
173118LEUHGH1.7510.0001
174118LEUHD11H0.9890.0052
175118LEUHD12H0.9890.0052
176118LEUHD13H0.9890.0052
177118LEUHD21H0.9370.0132
178118LEUHD22H0.9370.0132
179118LEUHD23H0.9370.0132
180118LEUCAC56.7480.0001
181118LEUCBC41.3640.0031
182118LEUCGC27.5100.0001
183118LEUCD1C24.8250.0002
184118LEUCD2C25.3490.0002
185118LEUNN117.4480.0001
186119LEUHH7.1810.0051
187119LEUHAH4.4230.0051
188119LEUHB2H1.9200.0042
189119LEUHB3H1.7780.0022
190119LEUHGH1.6290.0051
191119LEUHD11H0.9380.0022
192119LEUHD12H0.9380.0022
193119LEUHD13H0.9380.0022
194119LEUHD21H0.8600.0072
195119LEUHD22H0.8600.0072
196119LEUHD23H0.8600.0072
197119LEUCAC54.2870.0001
198119LEUCBC42.2170.0131
199119LEUCGC27.1400.0001
200119LEUCD1C23.4310.0002
201119LEUCD2C22.6370.0002
202119LEUNN117.1650.0001
203120GLYHH7.8650.0041
204120GLYHA2H4.2570.0022
205120GLYHA3H3.8220.0042
206120GLYCAC45.0200.0071
207120GLYNN105.0180.0001
208121CYSHH7.5320.0021
209121CYSHAH4.9820.0051
210121CYSHB2H3.6410.0082
211121CYSHB3H2.4010.0112
212121CYSCAC57.8950.0001
213121CYSCBC48.9760.0041
214121CYSNN117.5540.0001
215122SERHH9.2570.0021
216122SERHAH4.6780.0121
217122SERHB2H3.8600.0032
218122SERHB3H3.8600.0032
219122SERCAC58.2780.0001
220122SERCBC65.7280.0001
221122SERNN114.7370.0001
222123CYSHH8.6560.0011
223123CYSHAH4.5980.0091
224123CYSHB2H3.0850.0012
225123CYSHB3H3.0850.0012
226123CYSCAC56.2220.0001
227123CYSCBC46.0260.0001
228123CYSNN123.8100.0001
229124LYSHH9.6160.0021
230124LYSHAH4.5350.0101
231124LYSHB2H1.8840.0012
232124LYSHB3H1.8180.0022
233124LYSHG2H1.3960.0072
234124LYSHG3H1.2310.0042
235124LYSHD2H1.5240.0062
236124LYSHD3H1.3960.0072
237124LYSHE2H2.7930.0032
238124LYSHE3H2.7940.0012
239124LYSCAC56.2900.0001
240124LYSCBC34.5520.0081
241124LYSCGC24.7970.0281
242124LYSCDC28.9830.0051
243124LYSCEC41.7880.0001
244124LYSNN133.6250.0001
245125ASPHH9.2770.0021
246125ASPHAH4.2780.0011
247125ASPHB2H2.9730.0072
248125ASPHB3H2.7030.0072
249125ASPCAC54.9990.0001
250125ASPCBC38.0360.0221
251125ASPNN126.3970.0001
252126LYSHH8.2290.0021
253126LYSHAH3.5030.0051
254126LYSHB2H2.2860.0062
255126LYSHB3H1.9270.0002
256126LYSHG2H1.3330.0062
257126LYSHG3H1.3230.0092
258126LYSHD2H1.6930.0032
259126LYSHD3H1.6040.0052
260126LYSHE2H2.9620.0022
261126LYSHE3H2.9620.0022
262126LYSCAC59.8860.0001
263126LYSCBC29.6870.0091
264126LYSCGC25.7080.0141
265126LYSCDC29.4020.0081
266126LYSCEC42.0970.0001
267126LYSNN106.4900.0001
268127VALHH8.0370.0041
269127VALHAH4.1780.0011
270127VALHBH2.0140.0081
271127VALHG11H0.9380.0002
272127VALHG12H0.9380.0002
273127VALHG13H0.9380.0002
274127VALHG21H0.4740.0102
275127VALHG22H0.4740.0102
276127VALHG23H0.4740.0102
277127VALCBC35.5900.0001
278127VALCG1C22.1450.0002
279127VALCG2C21.5870.0002
280127VALNN125.4700.0001
281128CYSHH7.8790.0041
282128CYSHAH4.8490.0221
283128CYSHB2H3.1290.0062
284128CYSHB3H2.7130.0042
285128CYSCAC56.7090.0001
286128CYSCBC45.0160.0401
287128CYSNN123.2010.0001
288129TYRHH9.4430.0041
289129TYRHAH5.2340.0061
290129TYRHB2H2.8450.0062
291129TYRHB3H2.7580.0092
292129TYRHD1H6.8300.0013
293129TYRHD2H6.8300.0013
294129TYRHE1H6.9350.0003
295129TYRHE2H6.9350.0003
296129TYRCAC58.8820.0001
297129TYRCBC45.5270.0101
298129TYRNN125.5330.0001
299130LYSHH8.9140.0021
300130LYSHAH4.5870.0021
301130LYSHB2H1.9350.0062
302130LYSHB3H1.8760.0002
303130LYSHG2H1.3550.0052
304130LYSHG3H1.2100.0032
305130LYSHD2H1.7410.0042
306130LYSHD3H1.6510.0022
307130LYSHE2H3.0120.0032
308130LYSHE3H3.0120.0032
309130LYSCAC57.0270.0001
310130LYSCBC34.9860.0001
311130LYSCGC24.8950.0001
312130LYSCDC29.4570.0001
313130LYSCEC42.1930.0001
314130LYSNN121.3210.0001
315131ASNHH9.7250.0021
316131ASNHAH4.3760.0061
317131ASNHB2H3.0900.0022
318131ASNHB3H2.8390.0032
319131ASNHD21H7.7030.0052
320131ASNHD22H7.0110.0082
321131ASNCAC54.4000.0001
322131ASNCBC37.4630.0041
323131ASNNN127.7560.0001
324131ASNND2N112.9560.0031

Release date
2021-10-04
Citation
Mutagenesis of cyclotide Cter 27 exemplifies a robust folding strategy for bracelet cyclotides
Dang, T.T., Harvey, P.J., Chan, L.Y., Huang, Y.H., Kaas, Q., Craik, D.J.
Pept. Sci. (2022), 114, e24284-e24284, PubMed , DOI 10.1002/pep2.24284
Related entities 1. Cliotide T10, : 1 : 1 : 3 : 1 : 116 entities Detail
Experiments performed 5 experiments Detail
Chemical shift validation 3 contents Detail
Keywords ANTIMICROBIAL PROTEIN, cyclic cysteine knot, cyclotide peptide bracelet