BMRB: 31097

Solution NMR structure of a RiPP proteusin precursor protein

Authors

McShan, A.C., Vinayak, A., Nguyen, N.A.

Assembly

NHLP leader peptide family natural product, tumor homing peptide 1 (TH1) substrate chimera,MprE7-TH1

Entity

1. NHLP leader peptide family natural product, tumor homing peptide 1 (TH1) substrate chimera,MprE7-TH1 (polymer), 91 monomers, 9671.846 Da Detail

GSHMMNEEQT QQYSQIVAKC WADAEFKAKL IADPKATLAA ESIAVPDGIE LRVLENTATV VNLVLPPPPA EGELSDEDLG AVTGGLTVLP W

Formula weight

9671.846 Da

Source organism

Methylovulum psychrotolerans , synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 60, ¹³C: 173, ¹⁵N: 60 assignments Detail

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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	18	ALA	C	C	181.065
2	1	19	LYS	H	H	7.629
3	1	19	LYS	C	C	178.548
4	1	19	LYS	CA	C	60.106
5	1	19	LYS	CB	C	32.074
6	1	19	LYS	N	N	119.748
7	1	20	CYS	H	H	7.864
8	1	20	CYS	C	C	176.791
9	1	20	CYS	CA	C	64.418
10	1	20	CYS	CB	C	26.983
11	1	20	CYS	N	N	116.645
12	1	21	TRP	H	H	7.990
13	1	21	TRP	C	C	177.916
14	1	21	TRP	CA	C	56.986
15	1	21	TRP	CB	C	29.105
16	1	21	TRP	N	N	117.977
17	1	22	ALA	H	H	7.577
18	1	22	ALA	C	C	177.876
19	1	22	ALA	CA	C	53.195
20	1	22	ALA	CB	C	20.172
21	1	22	ALA	N	N	118.709
22	1	23	ASP	H	H	8.155
23	1	23	ASP	C	C	174.634
24	1	23	ASP	CA	C	53.168
25	1	23	ASP	CB	C	42.063
26	1	23	ASP	N	N	119.547
27	1	24	ALA	H	H	8.858
28	1	24	ALA	C	C	181.068
29	1	24	ALA	CA	C	55.079
30	1	24	ALA	CB	C	18.652
31	1	24	ALA	N	N	127.632
32	1	25	GLU	H	H	8.372
33	1	25	GLU	C	C	178.891
34	1	25	GLU	CA	C	56.981
35	1	25	GLU	CB	C	30.204
36	1	25	GLU	N	N	119.841
37	1	26	PHE	H	H	7.894
38	1	26	PHE	C	C	176.456
39	1	26	PHE	CA	C	61.748
40	1	26	PHE	CB	C	38.763
41	1	26	PHE	N	N	123.188
42	1	27	LYS	H	H	8.216
43	1	27	LYS	C	C	177.125
44	1	27	LYS	CA	C	60.357
45	1	27	LYS	CB	C	31.932
46	1	27	LYS	N	N	118.399
47	1	28	ALA	H	H	7.650
48	1	28	ALA	C	C	181.163
49	1	28	ALA	CA	C	55.117
50	1	28	ALA	CB	C	17.955
51	1	28	ALA	N	N	117.426
52	1	29	LYS	H	H	7.759
53	1	29	LYS	C	C	178.313
54	1	29	LYS	CA	C	59.593
55	1	29	LYS	CB	C	31.993
56	1	29	LYS	N	N	120.470
57	1	30	LEU	H	H	8.219
58	1	30	LEU	C	C	176.429
59	1	30	LEU	CA	C	57.861
60	1	30	LEU	CB	C	41.181
61	1	30	LEU	N	N	121.734
62	1	31	ILE	H	H	7.729
63	1	31	ILE	C	C	178.531
64	1	31	ILE	CA	C	65.160
65	1	31	ILE	CB	C	38.715
66	1	31	ILE	N	N	113.712
67	1	32	ALA	H	H	7.676
68	1	32	ALA	CA	C	54.608
69	1	32	ALA	CB	C	18.940
70	1	32	ALA	N	N	120.004
71	1	34	PRO	C	C	178.953
72	1	35	LYS	H	H	8.371
73	1	35	LYS	C	C	179.457
74	1	35	LYS	CA	C	61.214
75	1	35	LYS	CB	C	32.070
76	1	35	LYS	N	N	116.116
77	1	36	ALA	H	H	7.796
78	1	36	ALA	C	C	181.265
79	1	36	ALA	CA	C	54.705
80	1	36	ALA	CB	C	18.900
81	1	36	ALA	N	N	121.088
82	1	37	THR	H	H	8.005
83	1	37	THR	CA	C	63.250
84	1	37	THR	CB	C	68.232
85	1	37	THR	N	N	116.962
86	1	39	ALA	C	C	182.139
87	1	40	ALA	H	H	7.555
88	1	40	ALA	C	C	178.785
89	1	40	ALA	CA	C	54.470
90	1	40	ALA	CB	C	17.830
91	1	40	ALA	N	N	121.355
92	1	41	GLU	H	H	7.453
93	1	41	GLU	C	C	175.124
94	1	41	GLU	CA	C	54.627
95	1	41	GLU	CB	C	29.546
96	1	41	GLU	N	N	117.469
97	1	42	SER	H	H	7.853
98	1	42	SER	C	C	173.541
99	1	42	SER	CB	C	61.141
100	1	42	SER	N	N	109.808
101	1	43	ILE	H	H	7.947
102	1	43	ILE	C	C	174.084
103	1	43	ILE	CA	C	60.518
104	1	43	ILE	CB	C	38.727
105	1	43	ILE	N	N	121.678
106	1	44	ALA	H	H	8.436
107	1	44	ALA	C	C	176.332
108	1	44	ALA	CA	C	51.529
109	1	44	ALA	CB	C	18.989
110	1	44	ALA	N	N	130.608
111	1	45	VAL	H	H	7.851
112	1	45	VAL	CA	C	59.439
113	1	45	VAL	N	N	123.410
114	1	46	PRO	C	C	176.849
115	1	47	ASP	H	H	8.381
116	1	47	ASP	C	C	176.925
117	1	47	ASP	CA	C	54.976
118	1	47	ASP	CB	C	41.182
119	1	47	ASP	N	N	120.782
120	1	48	GLY	H	H	8.358
121	1	48	GLY	C	C	173.827
122	1	48	GLY	CA	C	45.685
123	1	48	GLY	N	N	109.166
124	1	49	ILE	H	H	7.095
125	1	49	ILE	C	C	175.038
126	1	49	ILE	CA	C	59.379
127	1	49	ILE	CB	C	39.570
128	1	49	ILE	N	N	117.189
129	1	50	GLU	H	H	8.820
130	1	50	GLU	C	C	173.838
131	1	50	GLU	CA	C	55.123
132	1	50	GLU	CB	C	30.925
133	1	50	GLU	N	N	127.745
134	1	51	LEU	H	H	8.346
135	1	51	LEU	C	C	174.833
136	1	51	LEU	CA	C	53.301
137	1	51	LEU	CB	C	45.041
138	1	51	LEU	N	N	126.219
139	1	52	ARG	H	H	8.497
140	1	52	ARG	C	C	174.067
141	1	52	ARG	CA	C	55.163
142	1	52	ARG	CB	C	32.889
143	1	52	ARG	N	N	119.349
144	1	53	VAL	H	H	8.576
145	1	53	VAL	C	C	176.248
146	1	53	VAL	CA	C	61.552
147	1	53	VAL	CB	C	32.656
148	1	53	VAL	N	N	123.151
149	1	54	LEU	H	H	8.306
150	1	54	LEU	C	C	177.345
151	1	54	LEU	CA	C	55.384
152	1	54	LEU	CB	C	42.368
153	1	54	LEU	N	N	125.953
154	1	55	GLU	H	H	8.383
155	1	55	GLU	CA	C	57.017
156	1	55	GLU	CB	C	30.296
157	1	55	GLU	N	N	121.570
158	1	57	THR	C	C	174.152
159	1	58	ALA	H	H	8.639
160	1	58	ALA	C	C	178.764
161	1	58	ALA	CA	C	54.608
162	1	58	ALA	CB	C	18.816
163	1	58	ALA	N	N	119.118
164	1	59	THR	H	H	7.879
165	1	59	THR	C	C	173.749
166	1	59	THR	CA	C	61.336
167	1	59	THR	CB	C	70.197
168	1	59	THR	N	N	102.621
169	1	60	VAL	H	H	7.529
170	1	60	VAL	C	C	175.160
171	1	60	VAL	CA	C	62.589
172	1	60	VAL	CB	C	34.074
173	1	60	VAL	N	N	125.144
174	1	61	VAL	H	H	7.812
175	1	61	VAL	CA	C	58.659
176	1	61	VAL	CB	C	29.539
177	1	61	VAL	N	N	126.389
178	1	62	ASN	C	C	176.272
179	1	63	LEU	H	H	8.248
180	1	63	LEU	C	C	176.704
181	1	63	LEU	CA	C	55.652
182	1	63	LEU	CB	C	42.233
183	1	63	LEU	N	N	123.740
184	1	64	VAL	H	H	8.175
185	1	64	VAL	C	C	174.386
186	1	64	VAL	CA	C	62.345
187	1	64	VAL	CB	C	32.590
188	1	64	VAL	N	N	122.608
189	1	65	LEU	H	H	8.296
190	1	65	LEU	CA	C	52.721
191	1	65	LEU	CB	C	42.360
192	1	65	LEU	N	N	126.110
193	1	69	PRO	C	C	176.569
194	1	70	ALA	H	H	8.279
195	1	70	ALA	C	C	177.707
196	1	70	ALA	CA	C	52.178
197	1	70	ALA	CB	C	19.374
198	1	70	ALA	N	N	124.636
199	1	71	GLU	H	H	8.361
200	1	71	GLU	C	C	177.118
201	1	71	GLU	CA	C	56.981
202	1	71	GLU	CB	C	30.098
203	1	71	GLU	N	N	119.882
204	1	72	GLY	H	H	8.421
205	1	72	GLY	C	C	173.964
206	1	72	GLY	CA	C	45.219
207	1	72	GLY	N	N	110.339
208	1	73	GLU	H	H	8.122
209	1	73	GLU	C	C	176.434
210	1	73	GLU	CA	C	56.450
211	1	73	GLU	CB	C	30.477
212	1	73	GLU	N	N	120.178
213	1	74	LEU	H	H	8.347
214	1	74	LEU	C	C	177.239
215	1	74	LEU	CA	C	55.102
216	1	74	LEU	CB	C	42.606
217	1	74	LEU	N	N	123.190
218	1	75	SER	H	H	8.616
219	1	75	SER	C	C	174.596
220	1	75	SER	CA	C	58.007
221	1	75	SER	CB	C	64.541
222	1	75	SER	N	N	117.674
223	1	76	ASP	H	H	8.533
224	1	76	ASP	C	C	177.147
225	1	76	ASP	CA	C	55.501
226	1	76	ASP	CB	C	40.865
227	1	76	ASP	N	N	122.579
228	1	77	GLU	H	H	8.415
229	1	77	GLU	C	C	176.905
230	1	77	GLU	CA	C	57.647
231	1	77	GLU	CB	C	30.059
232	1	77	GLU	N	N	120.461
233	1	78	ASP	H	H	8.215
234	1	78	ASP	C	C	177.035
235	1	78	ASP	CA	C	55.091
236	1	78	ASP	CB	C	41.234
237	1	78	ASP	N	N	121.049
238	1	79	LEU	H	H	8.235
239	1	79	LEU	C	C	178.547
240	1	79	LEU	CA	C	56.291
241	1	79	LEU	CB	C	41.821
242	1	79	LEU	N	N	122.598
243	1	80	GLY	H	H	8.392
244	1	80	GLY	C	C	174.561
245	1	80	GLY	CA	C	45.798
246	1	80	GLY	N	N	108.127
247	1	81	ALA	H	H	7.931
248	1	81	ALA	C	C	178.112
249	1	81	ALA	CA	C	53.028
250	1	81	ALA	CB	C	19.163
251	1	81	ALA	N	N	123.123
252	1	82	VAL	H	H	8.083
253	1	82	VAL	C	C	176.816
254	1	82	VAL	CA	C	62.618
255	1	82	VAL	CB	C	32.586
256	1	82	VAL	N	N	118.916
257	1	83	THR	H	H	8.213
258	1	83	THR	C	C	175.377
259	1	83	THR	CA	C	62.344
260	1	83	THR	CB	C	69.977
261	1	83	THR	N	N	117.105
262	1	84	GLY	H	H	8.283
263	1	84	GLY	C	C	174.594
264	1	84	GLY	CA	C	45.689
265	1	84	GLY	N	N	110.610
266	1	85	GLY	H	H	8.222
267	1	85	GLY	C	C	173.959
268	1	85	GLY	CA	C	45.372
269	1	85	GLY	N	N	108.194
270	1	86	LEU	H	H	8.023
271	1	86	LEU	C	C	177.239
272	1	86	LEU	CA	C	55.209
273	1	86	LEU	CB	C	42.568
274	1	86	LEU	N	N	121.095
275	1	87	THR	H	H	8.167
276	1	87	THR	C	C	174.097
277	1	87	THR	CA	C	62.438
278	1	87	THR	CB	C	69.840
279	1	87	THR	N	N	114.984
280	1	88	VAL	H	H	8.135
281	1	88	VAL	C	C	175.605
282	1	88	VAL	CA	C	62.432
283	1	88	VAL	CB	C	32.748
284	1	88	VAL	N	N	123.524
285	1	89	LEU	H	H	8.340
286	1	89	LEU	CA	C	52.683
287	1	89	LEU	CB	C	41.634
288	1	89	LEU	N	N	127.994
289	1	90	PRO	C	C	175.478
290	1	91	TRP	H	H	7.305
291	1	91	TRP	CA	C	58.284
292	1	91	TRP	CB	C	29.772
293	1	91	TRP	N	N	125.028

Release date

2023-09-14

Citation

Solution NMR structure of a RiPP proteusin precursor protein
McShan, A.C., Vinayak, A., Nguyen, N.A.

Related entities 1. NHLP leader peptide family natural product, tumor homing peptide 1 (TH1) substrate chimera,MprE7-TH1, : 1 : 2 entities Detail

Experiments performed 5 experiments Detail

Chemical shift validation 3 contents Detail