BMRB: 34930

Trp-cage fortified Tc5b-Exenatide chimera (Ex4-Tc5bER) at 310K

Authors

Horvath, D.

Assembly

polypeptide

Entity

1. polypeptide (polymer, Thiol state: not present), 25 monomers, 2783.054 Da Detail

EEEAVRLYIQ WLKEGGPSSG RPPPS

Formula weight

2783.054 Da

Source organism

Heloderma suspectum

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 170 assignments Detail

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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	GLU	HA	H	4.027731	0	1
2	1	1	GLU	HB2	H	2.050484	0	2
3	1	1	GLU	HB3	H	2.050484	0	2
4	1	1	GLU	HG2	H	2.365903	0.004167772	2
5	1	1	GLU	HG3	H	2.365903	0.004167772	2
6	1	2	GLU	HA	H	4.339091	0.0008524372	1
7	1	2	GLU	HB2	H	2.001917	0.003395520	2
8	1	2	GLU	HB3	H	2.184157	0.004182759	2
9	1	2	GLU	HG2	H	2.344924	0.004207876	2
10	1	2	GLU	HG3	H	2.344924	0.004207876	2
11	1	3	GLU	H	H	8.849629	0.0002442858	1
12	1	3	GLU	HA	H	4.143438	0.002316999	1
13	1	3	GLU	HB2	H	2.056611	0.002108921	2
14	1	3	GLU	HB3	H	2.056878	0.002280871	2
15	1	3	GLU	HG2	H	2.312892	0.001253348	2
16	1	3	GLU	HG3	H	2.312892	0.001253348	2
17	1	4	ALA	H	H	8.478545	0.0003404779	1
18	1	4	ALA	HA	H	4.126784	0.003303029	1
19	1	4	ALA	HB1	H	1.440720	0.001215544	1
20	1	4	ALA	HB2	H	1.440720	0.001215544	1
21	1	4	ALA	HB3	H	1.440720	0.001215544	1
22	1	5	VAL	H	H	7.511855	0.0006204432	1
23	1	5	VAL	HA	H	3.902960	0.001674519	1
24	1	5	VAL	HB	H	2.188479	0.0005072592	1
25	1	5	VAL	HG11	H	1.015290	0.003780865	2
26	1	5	VAL	HG12	H	1.015290	0.003780865	2
27	1	5	VAL	HG13	H	1.015290	0.003780865	2
28	1	5	VAL	HG21	H	1.025256	0.008919196	2
29	1	5	VAL	HG22	H	1.025256	0.008919196	2
30	1	5	VAL	HG23	H	1.025256	0.008919196	2
31	1	6	ARG	H	H	7.912015	0.001130673	1
32	1	6	ARG	HA	H	4.077125	0.002483284	1
33	1	6	ARG	HB2	H	1.912553	0.003764944	2
34	1	6	ARG	HB3	H	1.940967	0.0007096205	2
35	1	6	ARG	HG2	H	1.589340	0.003333323	2
36	1	6	ARG	HG3	H	1.722474	0.002574455	2
37	1	6	ARG	HD2	H	3.212721	0.0008072947	2
38	1	6	ARG	HD3	H	3.264028	0.0003295685	2
39	1	7	LEU	H	H	8.317983	0.0006468894	1
40	1	7	LEU	HA	H	4.142888	0.003626089	1
41	1	7	LEU	HB2	H	1.413541	0.002515126	2
42	1	7	LEU	HB3	H	1.841370	0.0007322554	2
43	1	7	LEU	HG	H	1.771164	0.003963354	1
44	1	7	LEU	HD11	H	0.8766649	0.002800115	2
45	1	7	LEU	HD12	H	0.8766649	0.002800115	2
46	1	7	LEU	HD13	H	0.8766649	0.002800115	2
47	1	7	LEU	HD21	H	0.9132879	0.003102557	2
48	1	7	LEU	HD22	H	0.9132879	0.003102557	2
49	1	7	LEU	HD23	H	0.9132879	0.003102557	2
50	1	8	TYR	H	H	8.088485	0.001946153	1
51	1	8	TYR	HA	H	4.197640	0.001112833	1
52	1	8	TYR	HB2	H	3.157326	0.001709964	2
53	1	8	TYR	HB3	H	3.213664	0.002839445	2
54	1	8	TYR	HD1	H	7.021944	0.002048458	3
55	1	8	TYR	HD2	H	7.021944	0.002048458	3
56	1	8	TYR	HE1	H	6.812065	0.001747524	3
57	1	8	TYR	HE2	H	6.812065	0.001747524	3
58	1	9	ILE	H	H	8.349102	0.001130304	1
59	1	9	ILE	HA	H	3.743150	0.002519219	1
60	1	9	ILE	HB	H	2.016130	0.003019325	1
61	1	9	ILE	HG12	H	1.374285	0.009978160	2
62	1	9	ILE	HG13	H	1.795824	0.003444107	2
63	1	9	ILE	HG21	H	0.9335478	0.004996638	1
64	1	9	ILE	HG22	H	0.9335478	0.004996638	1
65	1	9	ILE	HG23	H	0.9335478	0.004996638	1
66	1	9	ILE	HD11	H	0.9008899	0.001433912	1
67	1	9	ILE	HD12	H	0.9008899	0.001433912	1
68	1	9	ILE	HD13	H	0.9008899	0.001433912	1
69	1	10	GLN	H	H	7.948978	0.001193231	1
70	1	10	GLN	HA	H	4.017570	0.002341860	1
71	1	10	GLN	HB2	H	2.121211	0.002930415	2
72	1	10	GLN	HB3	H	2.175048	0.002499373	2
73	1	10	GLN	HG2	H	2.391727	0.006944890	2
74	1	10	GLN	HG3	H	2.391727	0.006944890	2
75	1	10	GLN	HE21	H	6.783409	0.0004065060	2
76	1	10	GLN	HE22	H	7.803321	0.0005299507	2
77	1	11	TRP	H	H	7.945577	0.001027999	1
78	1	11	TRP	HA	H	4.268838	0.001850748	1
79	1	11	TRP	HB2	H	3.171396	0.003073161	2
80	1	11	TRP	HB3	H	3.548879	0.005318125	2
81	1	11	TRP	HD1	H	7.050271	0.0004646745	1
82	1	11	TRP	HE1	H	9.679257	0.0007635320	1
83	1	11	TRP	HE3	H	7.183731	0.001904142	1
84	1	11	TRP	HZ2	H	7.253302	0.001746063	1
85	1	11	TRP	HZ3	H	7.093273	0.003021411	1
86	1	11	TRP	HH2	H	7.196690	0.002442768	1
87	1	12	LEU	H	H	8.344463	0.001039574	1
88	1	12	LEU	HA	H	3.476198	0.001501183	1
89	1	12	LEU	HB2	H	1.385858	0.004008495	2
90	1	12	LEU	HB3	H	1.873464	0.001064792	2
91	1	12	LEU	HG	H	1.595237	0.003982474	1
92	1	12	LEU	HD11	H	0.8135578	0.001753828	2
93	1	12	LEU	HD12	H	0.8135578	0.001753828	2
94	1	12	LEU	HD13	H	0.8135578	0.001753828	2
95	1	12	LEU	HD21	H	0.8984238	0.001976469	2
96	1	12	LEU	HD22	H	0.8984238	0.001976469	2
97	1	12	LEU	HD23	H	0.8984238	0.001976469	2
98	1	13	LYS	H	H	8.264264	0.002078428	1
99	1	13	LYS	HA	H	3.997622	0.001479701	1
100	1	13	LYS	HB2	H	1.939220	0.002621792	2
101	1	13	LYS	HB3	H	1.939220	0.002621792	2
102	1	13	LYS	HG2	H	1.424761	0.001885289	2
103	1	13	LYS	HG3	H	1.572870	0.004371069	2
104	1	13	LYS	HD2	H	1.655064	0.005336311	2
105	1	13	LYS	HD3	H	1.655064	0.005336311	2
106	1	13	LYS	HE2	H	2.951096	0.0003891925	2
107	1	13	LYS	HE3	H	2.951096	0.0003891925	2
108	1	14	GLU	H	H	7.711922	0.001254997	1
109	1	14	GLU	HA	H	4.197513	0.0008797074	1
110	1	14	GLU	HB2	H	1.979792	0.004074784	2
111	1	14	GLU	HB3	H	2.189216	0.002357972	2
112	1	14	GLU	HG2	H	2.259288	0.001611218	2
113	1	14	GLU	HG3	H	2.479261	0.001535676	2
114	1	15	GLY	H	H	7.601364	0.002130462	1
115	1	15	GLY	HA2	H	3.554440	0.007014093	2
116	1	15	GLY	HA3	H	4.112212	0.0006944887	2
117	1	16	GLY	H	H	8.159041	0.0005688017	1
118	1	16	GLY	HA2	H	1.572255	0.002716691	2
119	1	16	GLY	HA3	H	3.155802	0.001372792	2
120	1	17	PRO	HA	H	4.538184	0.001654733	1
121	1	17	PRO	HB2	H	2.026958	0.004636163	2
122	1	17	PRO	HB3	H	2.455982	0.002064874	2
123	1	17	PRO	HG2	H	2.090758	0.002483872	2
124	1	17	PRO	HG3	H	2.091273	0.002543289	2
125	1	17	PRO	HD2	H	3.302463	0.004218872	2
126	1	17	PRO	HD3	H	3.715661	0.003753278	2
127	1	18	SER	H	H	7.809845	0	1
128	1	18	SER	HA	H	4.444988	0	1
129	1	18	SER	HB2	H	3.913281	0	2
130	1	18	SER	HB3	H	3.913281	0	2
131	1	19	SER	H	H	8.119686	0	1
132	1	19	SER	HA	H	4.261838	0.001866665	1
133	1	19	SER	HB2	H	3.639661	0.001174064	2
134	1	19	SER	HB3	H	3.917801	0.002285704	2
135	1	20	GLY	H	H	7.955506	0.001619132	1
136	1	20	GLY	HA2	H	3.851042	0.004513058	2
137	1	20	GLY	HA3	H	4.188901	0.001357114	2
138	1	21	ARG	H	H	8.014370	0.003051023	1
139	1	21	ARG	HA	H	4.872774	0.001054453	1
140	1	21	ARG	HB2	H	1.810785	0.0006921147	2
141	1	21	ARG	HB3	H	1.882014	0.002377404	2
142	1	21	ARG	HG2	H	1.663541	0.004400323	2
143	1	21	ARG	HG3	H	1.729154	0.006073483	2
144	1	21	ARG	HD2	H	3.249008	0.0007039499	2
145	1	21	ARG	HD3	H	3.249008	0.0007039499	2
146	1	22	PRO	HA	H	4.707780	0.0003407579	1
147	1	22	PRO	HB2	H	1.814786	0.002048222	2
148	1	22	PRO	HB3	H	2.306800	0.002958505	2
149	1	22	PRO	HG2	H	1.994465	0.004404980	2
150	1	22	PRO	HG3	H	1.995503	0.003681241	2
151	1	22	PRO	HD2	H	3.638463	0.001117264	2
152	1	22	PRO	HD3	H	3.840748	0.0007291487	2
153	1	23	PRO	HA	H	2.991096	0.002151822	1
154	1	23	PRO	HB2	H	0.8522301	0.006414725	2
155	1	23	PRO	HB3	H	1.474428	0.003723941	2
156	1	23	PRO	HG2	H	1.683417	0.002625753	2
157	1	23	PRO	HG3	H	1.792679	0.008092400	2
158	1	23	PRO	HD2	H	3.496044	0.0006479288	2
159	1	23	PRO	HD3	H	3.544918	0.002207502	2
160	1	24	PRO	HA	H	4.314791	0.002626024	1
161	1	24	PRO	HB2	H	1.973452	0.003010780	2
162	1	24	PRO	HB3	H	2.206987	0.006126756	2
163	1	24	PRO	HG2	H	1.840315	0.004015161	2
164	1	24	PRO	HG3	H	1.916124	0.006069365	2
165	1	24	PRO	HD2	H	3.055119	0.001184180	2
166	1	24	PRO	HD3	H	3.170459	0.003320967	2
167	1	25	SER	H	H	7.637734	0.0009314382	1
168	1	25	SER	HA	H	4.160100	0.001294442	1
169	1	25	SER	HB2	H	3.780777	0.001233959	2
170	1	25	SER	HB3	H	3.780777	0.001233959	2

Release date

2024-07-23

Citation

Influence of Trp-Cage on the Function and Stability of GLP-1R Agonist Exenatide Derivatives
Horvath, D., Straner, P., Taricska, N., Fazekas, Z., Menyhard, D.K., Perczel, A.
J. Med. Chem. (2024), 67, 16757-16772, PubMed 39254428 , DOI 10.1021/acs.jmedchem.4c01553 , Abstract

Entries sharing articles BMRB: 18 entries Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail