BMRB: 34935

Trp-cage fortified Tc5b-Exenatide chimera (Ex-4-Tc5bDR) at 310K

Authors

Horvath, D.

Assembly

Exendin-4

Entity

1. Exendin-4 (polymer, Thiol state: not present), 25 monomers, 2769.028 Da Detail

EEEAVRLYIQ WLKDGGPSSG RPPPS

Formula weight

2769.028 Da

Source organism

Heloderma suspectum

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 167 assignments Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	GLU	HA	H	4.035426	0.0004448531	1
2	1	1	GLU	HB2	H	2.058421	0.003193812	2
3	1	1	GLU	HB3	H	2.124232	0.0001947487	2
4	1	1	GLU	HG2	H	2.365035	0.001280415	2
5	1	1	GLU	HG3	H	2.365035	0.001280415	2
6	1	2	GLU	HA	H	4.339553	0.002854995	1
7	1	2	GLU	HB2	H	2.182226	0.0009007330	2
8	1	2	GLU	HB3	H	2.182226	0.0009007330	2
9	1	2	GLU	HG2	H	2.309185	0.001614855	2
10	1	2	GLU	HG3	H	2.355019	0.001705841	2
11	1	3	GLU	H	H	8.866427	0.0008613791	1
12	1	3	GLU	HA	H	4.140556	0.002924032	1
13	1	3	GLU	HB2	H	2.062206	0.001237563	2
14	1	3	GLU	HB3	H	2.062206	0.001237563	2
15	1	3	GLU	HG2	H	2.317393	0.001829276	2
16	1	3	GLU	HG3	H	2.317393	0.001829276	2
17	1	4	ALA	H	H	8.493081	0.0009914457	1
18	1	4	ALA	HA	H	4.116502	0.001167776	1
19	1	4	ALA	HB1	H	1.447449	0.001220030	1
20	1	4	ALA	HB2	H	1.447449	0.001220030	1
21	1	4	ALA	HB3	H	1.447449	0.001220030	1
22	1	5	VAL	H	H	7.496170	0.001153194	1
23	1	5	VAL	HA	H	3.897152	0.002681957	1
24	1	5	VAL	HB	H	2.198842	0.002500264	1
25	1	5	VAL	HG11	H	1.020727	0.003733949	2
26	1	5	VAL	HG12	H	1.020727	0.003733949	2
27	1	5	VAL	HG13	H	1.020727	0.003733949	2
28	1	5	VAL	HG21	H	1.039304	0.002637544	2
29	1	5	VAL	HG22	H	1.039304	0.002637544	2
30	1	5	VAL	HG23	H	1.039304	0.002637544	2
31	1	6	ARG	H	H	7.904042	0.001722043	1
32	1	6	ARG	HA	H	4.066195	0.002325827	1
33	1	6	ARG	HB2	H	1.933631	0.005171306	2
34	1	6	ARG	HB3	H	1.935766	0.003252461	2
35	1	6	ARG	HG2	H	1.602852	0.001955239	2
36	1	6	ARG	HG3	H	1.732201	0.003133631	2
37	1	6	ARG	HD2	H	3.227099	0.01871194	2
38	1	6	ARG	HD3	H	3.244891	0.01915232	2
39	1	7	LEU	H	H	8.353807	0.0008893516	1
40	1	7	LEU	HA	H	4.146330	0.001352541	1
41	1	7	LEU	HB2	H	1.406665	0.001360752	2
42	1	7	LEU	HB3	H	1.878010	0.001586210	2
43	1	7	LEU	HG	H	1.793083	0.002511518	1
44	1	7	LEU	HD11	H	0.8876541	0.001406189	2
45	1	7	LEU	HD12	H	0.8876541	0.001406189	2
46	1	7	LEU	HD13	H	0.8876541	0.001406189	2
47	1	7	LEU	HD21	H	0.9202150	0.003032479	2
48	1	7	LEU	HD22	H	0.9202150	0.003032479	2
49	1	7	LEU	HD23	H	0.9202150	0.003032479	2
50	1	8	TYR	H	H	8.142691	0.001375188	1
51	1	8	TYR	HA	H	4.168219	0.003235073	1
52	1	8	TYR	HB2	H	3.153385	0.003992327	2
53	1	8	TYR	HB3	H	3.216533	0.001963793	2
54	1	8	TYR	HD1	H	7.000922	0.002109125	3
55	1	8	TYR	HD2	H	7.000922	0.002109125	3
56	1	8	TYR	HE1	H	6.802159	0.0009569903	3
57	1	8	TYR	HE2	H	6.802159	0.0009569903	3
58	1	9	ILE	H	H	8.386247	0.0008514847	1
59	1	9	ILE	HA	H	3.733016	0.003619231	1
60	1	9	ILE	HB	H	2.017479	0.004302313	1
61	1	9	ILE	HG12	H	1.370537	0.004064106	2
62	1	9	ILE	HG13	H	1.812010	0.003862758	2
63	1	9	ILE	HG21	H	0.9258293	0.003224567	1
64	1	9	ILE	HG22	H	0.9258293	0.003224567	1
65	1	9	ILE	HG23	H	0.9258293	0.003224567	1
66	1	9	ILE	HD11	H	0.9059023	0.005275638	1
67	1	9	ILE	HD12	H	0.9059023	0.005275638	1
68	1	9	ILE	HD13	H	0.9059023	0.005275638	1
69	1	10	GLN	H	H	7.973652	0.001555518	1
70	1	10	GLN	HA	H	3.926401	0.0007720969	1
71	1	10	GLN	HB2	H	2.126799	0.001418194	2
72	1	10	GLN	HB3	H	2.199312	0.001608652	2
73	1	10	GLN	HG2	H	2.396045	0.003192454	2
74	1	10	GLN	HG3	H	2.396045	0.003192454	2
75	1	10	GLN	HE21	H	6.835102	0.0007046437	2
76	1	10	GLN	HE22	H	7.698647	0.0005704201	2
77	1	11	TRP	H	H	7.979850	0.001241334	1
78	1	11	TRP	HA	H	4.291366	0.002070118	1
79	1	11	TRP	HB2	H	3.179965	0.001740283	2
80	1	11	TRP	HB3	H	3.564431	0.005461185	2
81	1	11	TRP	HD1	H	7.023405	0.002876757	1
82	1	11	TRP	HE1	H	9.708621	0.001117097	1
83	1	11	TRP	HE3	H	7.140249	0.002132222	1
84	1	11	TRP	HZ2	H	7.221483	0.001329259	1
85	1	11	TRP	HZ3	H	7.112903	0.001477799	1
86	1	11	TRP	HH2	H	7.202826	0.0009142286	1
87	1	12	LEU	H	H	8.297351	0.001753565	1
88	1	12	LEU	HA	H	3.471931	0.001306715	1
89	1	12	LEU	HB2	H	1.359203	0.0009896958	2
90	1	12	LEU	HB3	H	1.910561	0.001274399	2
91	1	12	LEU	HG	H	1.615951	0.001845389	1
92	1	12	LEU	HD11	H	0.8244674	0.001392395	2
93	1	12	LEU	HD12	H	0.8244674	0.001392395	2
94	1	12	LEU	HD13	H	0.8244674	0.001392395	2
95	1	12	LEU	HD21	H	0.9104587	0.002186220	2
96	1	12	LEU	HD22	H	0.9104587	0.002186220	2
97	1	12	LEU	HD23	H	0.9104587	0.002186220	2
98	1	13	LYS	H	H	8.307660	0.0006085446	1
99	1	13	LYS	HA	H	3.937636	0.001280297	1
100	1	13	LYS	HB2	H	1.903090	0.001745243	2
101	1	13	LYS	HB3	H	1.903090	0.001745243	2
102	1	13	LYS	HG2	H	1.432410	0.005714725	2
103	1	13	LYS	HG3	H	1.560356	0.0008783107	2
104	1	13	LYS	HD2	H	1.633244	0.003806378	2
105	1	13	LYS	HD3	H	1.633244	0.003806378	2
106	1	13	LYS	HE2	H	2.941360	0.001625781	2
107	1	13	LYS	HE3	H	2.941360	0.001625781	2
108	1	14	ASP	H	H	7.922270	0.001914779	1
109	1	14	ASP	HA	H	4.563480	0.001981331	1
110	1	14	ASP	HB2	H	2.700081	0.001348808	2
111	1	14	ASP	HB3	H	2.855142	0.001528907	2
112	1	15	GLY	H	H	7.571167	0.001858071	1
113	1	15	GLY	HA2	H	3.515501	0.001524798	2
114	1	15	GLY	HA3	H	4.120367	0.0005139198	2
115	1	16	GLY	H	H	8.353626	0.001113399	1
116	1	16	GLY	HA2	H	1.230247	0.006384539	2
117	1	16	GLY	HA3	H	3.173227	0.001421149	2
118	1	17	PRO	HA	H	4.575572	0.002746748	1
119	1	17	PRO	HB2	H	2.039268	0.002093338	2
120	1	17	PRO	HB3	H	2.486837	0.0007225745	2
121	1	17	PRO	HG2	H	2.126302	0.001742166	2
122	1	17	PRO	HG3	H	2.127406	0.0008703713	2
123	1	17	PRO	HD2	H	3.390592	0.003243097	2
124	1	17	PRO	HD3	H	3.763093	0.002546404	2
125	1	18	SER	H	H	7.738496	0.0003679175	1
126	1	18	SER	HA	H	4.462911	0.0002266693	1
127	1	18	SER	HB2	H	3.917632	0.0005931355	2
128	1	18	SER	HB3	H	3.917632	0.0005931355	2
129	1	19	SER	HA	H	4.188092	0.0008701154	1
130	1	19	SER	HB2	H	3.555827	0.002159360	2
131	1	19	SER	HB3	H	3.862600	0.001959384	2
132	1	20	GLY	H	H	7.919159	0.0008054646	1
133	1	20	GLY	HA2	H	3.818476	0.0001428725	2
134	1	20	GLY	HA3	H	4.235143	0.002929163	2
135	1	21	ARG	H	H	8.084367	0.002521501	1
136	1	21	ARG	HA	H	4.966839	0.001455419	1
137	1	21	ARG	HB2	H	1.846111	0.002346519	2
138	1	21	ARG	HB3	H	1.846111	0.002346519	2
139	1	21	ARG	HG2	H	1.657285	0.003450283	2
140	1	21	ARG	HG3	H	1.769397	0.001834206	2
141	1	21	ARG	HD2	H	3.229145	0.0004868293	2
142	1	21	ARG	HD3	H	3.288875	0.0008293336	2
143	1	22	PRO	HA	H	4.735333	0.001276544	1
144	1	22	PRO	HB2	H	1.806506	0.002798878	2
145	1	22	PRO	HB3	H	2.325472	0.003312507	2
146	1	22	PRO	HG2	H	1.996913	0.002478922	2
147	1	22	PRO	HG3	H	1.996953	0.002610071	2
148	1	22	PRO	HD2	H	3.650801	0.002281594	2
149	1	22	PRO	HD3	H	3.845540	0.004551370	2
150	1	23	PRO	HA	H	2.842069	0.001858535	1
151	1	23	PRO	HB2	H	0.6462959	0.004359294	2
152	1	23	PRO	HB3	H	1.425405	0.002090323	2
153	1	23	PRO	HG2	H	1.659783	0.002749642	2
154	1	23	PRO	HG3	H	1.776050	0.003187719	2
155	1	23	PRO	HD2	H	3.510010	0.006899358	2
156	1	23	PRO	HD3	H	3.550315	0.003753954	2
157	1	24	PRO	HA	H	4.324488	0.003717965	1
158	1	24	PRO	HB2	H	2.000928	0.002869968	2
159	1	24	PRO	HB3	H	2.205012	0.003604555	2
160	1	24	PRO	HG2	H	1.824022	0.003624361	2
161	1	24	PRO	HG3	H	1.919683	0.003688232	2
162	1	24	PRO	HD2	H	3.023669	0.001856833	2
163	1	24	PRO	HD3	H	3.170418	0.001261290	2
164	1	25	SER	H	H	7.627491	0.001142770	1
165	1	25	SER	HA	H	4.158454	0.001310875	1
166	1	25	SER	HB2	H	3.778843	0.0001054398	2
167	1	25	SER	HB3	H	3.778843	0.0001054398	2

Release date

2024-07-24

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