BMRB: 34952

Trp-cage fortified Tc5b-Exenatide chimera (Ex-4-Tc5bQR) at 299K

Authors

Horvath, D.

Assembly

Exendin-4

Entity

1. Exendin-4 (polymer, Thiol state: not present), 25 monomers, 2782.069 Da Detail

EEEAVRLYIQ WLKQGGPSSG RPPPS

Formula weight

2782.069 Da

Source organism

Heloderma suspectum

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 162 assignments Detail

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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	2	GLU	HA	H	4.337823	0	1
2	1	3	GLU	H	H	8.934673	0.001634097	1
3	1	3	GLU	HA	H	4.154128	0.0005364369	1
4	1	3	GLU	HB2	H	2.039853	0.003633650	2
5	1	3	GLU	HB3	H	2.083675	0.0005800149	2
6	1	3	GLU	HG2	H	2.321182	0.004852618	2
7	1	3	GLU	HG3	H	2.321182	0.004852618	2
8	1	4	ALA	H	H	8.578910	0.0007098780	1
9	1	4	ALA	HA	H	4.109035	0.0002287138	1
10	1	4	ALA	HB1	H	1.442370	0.002577469	1
11	1	4	ALA	HB2	H	1.442370	0.002577469	1
12	1	4	ALA	HB3	H	1.442370	0.002577469	1
13	1	5	VAL	H	H	7.493966	0.001150945	1
14	1	5	VAL	HA	H	3.896008	0.004849434	1
15	1	5	VAL	HB	H	2.187879	0.003607421	1
16	1	5	VAL	HG11	H	1.027258	0.002299490	2
17	1	5	VAL	HG12	H	1.027258	0.002299490	2
18	1	5	VAL	HG13	H	1.027258	0.002299490	2
19	1	5	VAL	HG21	H	1.027258	0.002299490	2
20	1	5	VAL	HG22	H	1.027258	0.002299490	2
21	1	5	VAL	HG23	H	1.027258	0.002299490	2
22	1	6	ARG	H	H	7.952495	0.001107941	1
23	1	6	ARG	HA	H	4.067759	0.0006360152	1
24	1	6	ARG	HB2	H	1.903768	0.0006375745	2
25	1	6	ARG	HB3	H	1.952261	0.003752386	2
26	1	6	ARG	HG2	H	1.555092	0.001042140	2
27	1	6	ARG	HG3	H	1.720423	0.001126575	2
28	1	6	ARG	HD2	H	3.203417	0.0006252856	2
29	1	6	ARG	HD3	H	3.270473	0.001183269	2
30	1	7	LEU	H	H	8.423593	0.0008766805	1
31	1	7	LEU	HA	H	4.126090	0.001578494	1
32	1	7	LEU	HB2	H	1.437203	0.0009041980	2
33	1	7	LEU	HB3	H	1.856408	0.001488497	2
34	1	7	LEU	HG	H	1.785510	0.0007602730	1
35	1	7	LEU	HD11	H	0.8720015	0.003074058	2
36	1	7	LEU	HD12	H	0.8720015	0.003074058	2
37	1	7	LEU	HD13	H	0.8720015	0.003074058	2
38	1	7	LEU	HD21	H	0.9176954	0.0005449140	2
39	1	7	LEU	HD22	H	0.9176954	0.0005449140	2
40	1	7	LEU	HD23	H	0.9176954	0.0005449140	2
41	1	8	TYR	H	H	8.125332	0.002183509	1
42	1	8	TYR	HA	H	4.208783	0.0002957158	1
43	1	8	TYR	HB2	H	3.185128	0.0003512884	2
44	1	8	TYR	HB3	H	3.246116	0.003552224	2
45	1	8	TYR	HD1	H	7.055078	0.002548468	3
46	1	8	TYR	HD2	H	7.055078	0.002548468	3
47	1	8	TYR	HE1	H	6.837596	0.001676671	3
48	1	8	TYR	HE2	H	6.837596	0.001676671	3
49	1	9	ILE	H	H	8.426437	0.0002567849	1
50	1	9	ILE	HA	H	3.742626	0.001405543	1
51	1	9	ILE	HB	H	2.037547	0.001189753	1
52	1	9	ILE	HG12	H	1.391374	0.0006847867	2
53	1	9	ILE	HG13	H	1.829248	0.001128231	2
54	1	9	ILE	HG21	H	0.9462220	0.001069087	1
55	1	9	ILE	HG22	H	0.9462220	0.001069087	1
56	1	9	ILE	HG23	H	0.9462220	0.001069087	1
57	1	9	ILE	HD11	H	0.9049638	0.0004610872	1
58	1	9	ILE	HD12	H	0.9049638	0.0004610872	1
59	1	9	ILE	HD13	H	0.9049638	0.0004610872	1
60	1	10	GLN	H	H	7.997773	0.0006256854	1
61	1	10	GLN	HA	H	4.040652	0.001914078	1
62	1	10	GLN	HB2	H	2.162517	0.001801998	2
63	1	10	GLN	HB3	H	2.163523	0.002788364	2
64	1	10	GLN	HG2	H	2.369204	0.003117185	2
65	1	10	GLN	HG3	H	2.425057	0.002634102	2
66	1	10	GLN	HE21	H	6.914913	0	2
67	1	10	GLN	HE22	H	7.502208	0.0002360555	2
68	1	11	TRP	H	H	8.026797	0.002135080	1
69	1	11	TRP	HA	H	4.303443	0.0006113891	1
70	1	11	TRP	HB2	H	3.206999	0.002072534	2
71	1	11	TRP	HB3	H	3.573683	0.002992583	2
72	1	11	TRP	HD1	H	7.093752	0.008651429	1
73	1	11	TRP	HE1	H	9.699826	0.001158263	1
74	1	11	TRP	HE3	H	7.174307	0.002220158	1
75	1	11	TRP	HZ2	H	7.268932	0.001666439	1
76	1	11	TRP	HH2	H	7.207568	0.006009726	1
77	1	12	LEU	H	H	8.473290	0.001481224	1
78	1	12	LEU	HA	H	3.443518	0.001820461	1
79	1	12	LEU	HB2	H	1.407098	0.0005174066	2
80	1	12	LEU	HB3	H	1.868539	0.002342019	2
81	1	12	LEU	HG	H	1.577540	0.001770035	1
82	1	12	LEU	HD11	H	0.8199886	0.005015978	2
83	1	12	LEU	HD12	H	0.8199886	0.005015978	2
84	1	12	LEU	HD13	H	0.8199886	0.005015978	2
85	1	12	LEU	HD21	H	0.9065597	0.0005075105	2
86	1	12	LEU	HD22	H	0.9065597	0.0005075105	2
87	1	12	LEU	HD23	H	0.9065597	0.0005075105	2
88	1	13	LYS	H	H	8.311397	0.001822447	1
89	1	13	LYS	HA	H	4.026037	0.004380696	1
90	1	13	LYS	HB2	H	1.924124	0.001703167	2
91	1	13	LYS	HB3	H	1.924124	0.001703167	2
92	1	13	LYS	HG2	H	1.455314	0.002584025	2
93	1	13	LYS	HG3	H	1.455314	0.002584025	2
94	1	13	LYS	HD2	H	1.658668	0.0006723765	2
95	1	13	LYS	HD3	H	1.658668	0.0006723765	2
96	1	13	LYS	HE2	H	2.943993	0.0005484566	2
97	1	13	LYS	HE3	H	2.943993	0.0005484566	2
98	1	14	GLN	H	H	7.640611	0.001985329	1
99	1	14	GLN	HA	H	4.300711	0.0005518373	1
100	1	14	GLN	HB2	H	2.122935	0.0007228786	2
101	1	14	GLN	HB3	H	2.122935	0.0007228786	2
102	1	14	GLN	HG2	H	2.411715	0.001348150	2
103	1	14	GLN	HG3	H	2.548156	0.001417721	2
104	1	14	GLN	HE21	H	6.789070	0	2
105	1	14	GLN	HE22	H	7.396421	0	2
106	1	15	GLY	H	H	7.632520	0.001490380	1
107	1	15	GLY	HA2	H	3.554837	0.0005883479	2
108	1	15	GLY	HA3	H	4.131696	0.0006318874	2
109	1	16	GLY	H	H	8.050991	0.0006887721	1
110	1	16	GLY	HA2	H	1.599601	0.0002693091	2
111	1	16	GLY	HA3	H	3.169535	0.0005342186	2
112	1	17	PRO	HA	H	4.552377	0.0009952766	1
113	1	17	PRO	HB2	H	2.042506	0.001504254	2
114	1	17	PRO	HB3	H	2.465622	0.001897339	2
115	1	17	PRO	HG2	H	2.113385	0.007979343	2
116	1	17	PRO	HG3	H	2.113385	0.007979343	2
117	1	17	PRO	HD2	H	3.325727	0.003550781	2
118	1	17	PRO	HD3	H	3.726986	0.001038447	2
119	1	18	SER	H	H	7.910429	0.002426968	1
120	1	18	SER	HA	H	4.443699	0	1
121	1	18	SER	HB2	H	3.919474	0	2
122	1	18	SER	HB3	H	3.919474	0	2
123	1	19	SER	H	H	8.111177	0.0006898794	1
124	1	19	SER	HA	H	4.279131	0.0005848548	1
125	1	19	SER	HB2	H	3.663500	0.002787022	2
126	1	19	SER	HB3	H	3.923416	0.0004923546	2
127	1	20	GLY	H	H	8.029543	0.0002491370	1
128	1	20	GLY	HA2	H	3.858159	0	2
129	1	20	GLY	HA3	H	4.181323	0	2
130	1	21	ARG	H	H	7.994777	0.001314722	1
131	1	21	ARG	HA	H	4.825449	0.001118106	1
132	1	21	ARG	HB2	H	1.775829	0.005235932	2
133	1	21	ARG	HB3	H	1.928698	0.0006600911	2
134	1	21	ARG	HG2	H	1.673716	0.0006936788	2
135	1	21	ARG	HG3	H	1.675152	0.002937723	2
136	1	21	ARG	HD2	H	3.238836	0.0007829074	2
137	1	21	ARG	HD3	H	3.238836	0.0007829074	2
138	1	22	PRO	HA	H	4.671517	0.001367630	1
139	1	22	PRO	HB2	H	1.809251	0.003158265	2
140	1	22	PRO	HB3	H	2.279385	0.003359655	2
141	1	22	PRO	HG2	H	1.995417	0.001587659	2
142	1	22	PRO	HG3	H	1.995417	0.001587659	2
143	1	22	PRO	HD2	H	3.629154	0.001130850	2
144	1	22	PRO	HD3	H	3.839114	0.003883074	2
145	1	23	PRO	HA	H	3.061108	0.003831323	1
146	1	23	PRO	HB2	H	0.9082786	0.001794890	2
147	1	23	PRO	HB3	H	1.508704	0.008988768	2
148	1	23	PRO	HG2	H	1.695050	0.001183288	2
149	1	23	PRO	HG3	H	1.792216	0.001170618	2
150	1	23	PRO	HD2	H	3.516570	0.01168388	2
151	1	23	PRO	HD3	H	3.516570	0.01168388	2
152	1	24	PRO	HA	H	4.310374	0.001196484	1
153	1	24	PRO	HB2	H	1.980236	0.003254729	2
154	1	24	PRO	HB3	H	2.226303	0.001000118	2
155	1	24	PRO	HG2	H	1.852710	0.0004291519	2
156	1	24	PRO	HG3	H	1.939018	0.0005473432	2
157	1	24	PRO	HD2	H	3.115619	0.0005773260	2
158	1	24	PRO	HD3	H	3.215179	0.0006200445	2
159	1	25	SER	H	H	7.726383	0.001308686	1
160	1	25	SER	HA	H	4.154078	0	1
161	1	25	SER	HB2	H	3.787207	0	2
162	1	25	SER	HB3	H	3.787207	0	2

Release date

2024-08-07

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