BMRB: 34934

Trp-cage fortified Tc5b-Exenatide chimera (Ex-4-Tc5bDR) at 299K

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: 168 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	4.004216	0.0002500809	1
2	1	1	GLU	HB2	H	2.048480	0.002641568	2
3	1	1	GLU	HB3	H	2.115358	0.001371608	2
4	1	1	GLU	HG2	H	2.357944	0.0008731179	2
5	1	1	GLU	HG3	H	2.357944	0.0008731179	2
6	1	2	GLU	HA	H	4.333457	0.001006099	1
7	1	2	GLU	HB2	H	2.014462	0.002787096	2
8	1	2	GLU	HB3	H	2.209830	0.003692899	2
9	1	2	GLU	HG2	H	2.366019	0.002175261	2
10	1	2	GLU	HG3	H	2.366034	0.002306769	2
11	1	3	GLU	H	H	8.961804	0.0004984273	1
12	1	3	GLU	HA	H	4.145823	0.001427319	1
13	1	3	GLU	HB2	H	2.042695	0.0007789160	2
14	1	3	GLU	HB3	H	2.098768	0.002232749	2
15	1	3	GLU	HG2	H	2.325399	0.002626280	2
16	1	3	GLU	HG3	H	2.325399	0.002626280	2
17	1	4	ALA	H	H	8.577977	0.001965069	1
18	1	4	ALA	HA	H	4.104588	0.005350516	1
19	1	4	ALA	HB1	H	1.453898	0.002898893	1
20	1	4	ALA	HB2	H	1.453898	0.002898893	1
21	1	4	ALA	HB3	H	1.453898	0.002898893	1
22	1	5	VAL	H	H	7.464984	0.001690817	1
23	1	5	VAL	HA	H	3.870994	0.001941666	1
24	1	5	VAL	HB	H	2.214230	0.0003703619	1
25	1	5	VAL	HG11	H	1.032427	0.002751497	2
26	1	5	VAL	HG12	H	1.032427	0.002751497	2
27	1	5	VAL	HG13	H	1.032427	0.002751497	2
28	1	5	VAL	HG21	H	1.049607	0.001099272	2
29	1	5	VAL	HG22	H	1.049607	0.001099272	2
30	1	5	VAL	HG23	H	1.049607	0.001099272	2
31	1	6	ARG	H	H	7.933641	0.0007464669	1
32	1	6	ARG	HA	H	4.037501	0.002899350	1
33	1	6	ARG	HB2	H	1.939875	0.0008586483	2
34	1	6	ARG	HB3	H	1.968247	0.001794736	2
35	1	6	ARG	HG2	H	1.599308	0.006500304	2
36	1	6	ARG	HG3	H	1.739080	0.001731605	2
37	1	6	ARG	HD2	H	3.214457	0.0002441766	2
38	1	6	ARG	HD3	H	3.279855	0.001341949	2
39	1	7	LEU	H	H	8.480565	0.001524889	1
40	1	7	LEU	HA	H	4.134446	0.001135215	1
41	1	7	LEU	HB2	H	1.388227	0.002933558	2
42	1	7	LEU	HB3	H	1.919254	0.001856802	2
43	1	7	LEU	HG	H	1.813705	0.001806085	1
44	1	7	LEU	HD11	H	0.8964200	0.0008553191	2
45	1	7	LEU	HD12	H	0.8964200	0.0008553191	2
46	1	7	LEU	HD13	H	0.8964200	0.0008553191	2
47	1	7	LEU	HD21	H	0.9294414	0.001032058	2
48	1	7	LEU	HD22	H	0.9294414	0.001032058	2
49	1	7	LEU	HD23	H	0.9294414	0.001032058	2
50	1	8	TYR	H	H	8.196287	0.0006026090	1
51	1	8	TYR	HA	H	4.131563	0.002763539	1
52	1	8	TYR	HB2	H	3.154093	0.001305362	2
53	1	8	TYR	HB3	H	3.234798	0.002012102	2
54	1	8	TYR	HD1	H	6.989955	0.002194820	3
55	1	8	TYR	HD2	H	6.989955	0.002194820	3
56	1	8	TYR	HE1	H	6.798045	0.001162290	3
57	1	8	TYR	HE2	H	6.798045	0.001162290	3
58	1	9	ILE	H	H	8.501968	0.002035927	1
59	1	9	ILE	HA	H	3.702696	0.003044658	1
60	1	9	ILE	HB	H	2.037052	0.001802196	1
61	1	9	ILE	HG12	H	1.375825	0.002589515	2
62	1	9	ILE	HG13	H	1.868179	0.001432372	2
63	1	9	ILE	HG21	H	0.9467131	0.002243441	1
64	1	9	ILE	HG22	H	0.9467131	0.002243441	1
65	1	9	ILE	HG23	H	0.9467131	0.002243441	1
66	1	9	ILE	HD11	H	0.9249258	0.002786496	1
67	1	9	ILE	HD12	H	0.9249258	0.002786496	1
68	1	9	ILE	HD13	H	0.9249258	0.002786496	1
69	1	10	GLN	H	H	7.987587	0.0009702820	1
70	1	10	GLN	HA	H	3.906543	0.0005620172	1
71	1	10	GLN	HB2	H	2.129461	0.003648520	2
72	1	10	GLN	HB3	H	2.222670	0.002168008	2
73	1	10	GLN	HG2	H	2.399759	0.003920630	2
74	1	10	GLN	HG3	H	2.399759	0.003920630	2
75	1	10	GLN	HE21	H	6.922435	0.0005199964	2
76	1	10	GLN	HE22	H	7.791956	0.0004559059	2
77	1	11	TRP	H	H	8.014138	0.001126494	1
78	1	11	TRP	HA	H	4.257734	0.002266397	1
79	1	11	TRP	HB2	H	3.166583	0.002117057	2
80	1	11	TRP	HB3	H	3.588873	0.001150984	2
81	1	11	TRP	HD1	H	6.998639	0.0008265338	1
82	1	11	TRP	HE1	H	9.694273	0.0006418672	1
83	1	11	TRP	HE3	H	7.076216	0.003126924	1
84	1	11	TRP	HZ2	H	7.198735	0.0009097120	1
85	1	11	TRP	HZ3	H	7.112663	0.001410233	1
86	1	11	TRP	HH2	H	7.198768	0.001243285	1
87	1	12	LEU	H	H	8.354991	0.001128737	1
88	1	12	LEU	HA	H	3.409541	0.001153429	1
89	1	12	LEU	HB2	H	1.330895	0.002296321	2
90	1	12	LEU	HB3	H	1.961735	0.002881349	2
91	1	12	LEU	HG	H	1.632452	0.001978172	1
92	1	12	LEU	HD11	H	0.8324433	0.001581977	2
93	1	12	LEU	HD12	H	0.8324433	0.001581977	2
94	1	12	LEU	HD13	H	0.8324433	0.001581977	2
95	1	12	LEU	HD21	H	0.9285884	0.003067829	2
96	1	12	LEU	HD22	H	0.9285884	0.003067829	2
97	1	12	LEU	HD23	H	0.9285884	0.003067829	2
98	1	13	LYS	H	H	8.359669	0.0006463790	1
99	1	13	LYS	HA	H	3.917726	0.001172015	1
100	1	13	LYS	HB2	H	1.917968	0.001701640	2
101	1	13	LYS	HB3	H	1.917968	0.001701640	2
102	1	13	LYS	HG2	H	1.426900	0.001904525	2
103	1	13	LYS	HG3	H	1.568609	0.001881036	2
104	1	13	LYS	HD2	H	1.630195	0.001639268	2
105	1	13	LYS	HD3	H	1.630195	0.001639268	2
106	1	13	LYS	HE2	H	2.937366	0.001969920	2
107	1	13	LYS	HE3	H	2.937782	0.001820578	2
108	1	14	ASP	H	H	7.957014	0.001788772	1
109	1	14	ASP	HA	H	4.539582	0.001134906	1
110	1	14	ASP	HB2	H	2.713565	0.001409158	2
111	1	14	ASP	HB3	H	2.886694	0.001344767	2
112	1	15	GLY	H	H	7.541727	0.002252136	1
113	1	15	GLY	HA2	H	3.475322	0.002736353	2
114	1	15	GLY	HA3	H	4.143115	0.001713184	2
115	1	16	GLY	H	H	8.440101	0.0007502536	1
116	1	16	GLY	HA2	H	0.8875250	0.0003686225	2
117	1	16	GLY	HA3	H	3.130466	0.001311872	2
118	1	17	PRO	HA	H	4.610721	0.001953186	1
119	1	17	PRO	HB2	H	2.056702	0.001197119	2
120	1	17	PRO	HB3	H	2.515769	0.001190425	2
121	1	17	PRO	HG2	H	2.152834	0.002459673	2
122	1	17	PRO	HG3	H	2.152834	0.002459673	2
123	1	17	PRO	HD2	H	3.423366	0.001756431	2
124	1	17	PRO	HD3	H	3.800081	0.004186520	2
125	1	18	SER	H	H	7.714422	0.0002377440	1
126	1	18	SER	HA	H	4.473964	0.0007674648	1
127	1	18	SER	HB2	H	3.905026	0.0002508592	2
128	1	18	SER	HB3	H	3.931461	0.000043637	2
129	1	19	SER	H	H	8.191214	0.0009649896	1
130	1	19	SER	HA	H	4.154197	0.0006968730	1
131	1	19	SER	HB2	H	3.501872	0.002158217	2
132	1	19	SER	HB3	H	3.855605	0.004152756	2
133	1	20	GLY	H	H	7.929559	0.002002888	1
134	1	20	GLY	HA2	H	3.802573	0.003379311	2
135	1	20	GLY	HA3	H	4.266637	0.0002481392	2
136	1	21	ARG	H	H	8.134941	0.001623924	1
137	1	21	ARG	HA	H	5.025892	0.0008478330	1
138	1	21	ARG	HB2	H	1.810074	0.003006905	2
139	1	21	ARG	HB3	H	1.888256	0.001920155	2
140	1	21	ARG	HG2	H	1.652877	0.001814168	2
141	1	21	ARG	HG3	H	1.652877	0.001814168	2
142	1	21	ARG	HD2	H	3.233876	0.0006492319	2
143	1	21	ARG	HD3	H	3.302819	0.0004414037	2
144	1	22	PRO	HA	H	4.749137	0.003708440	1
145	1	22	PRO	HB2	H	1.798689	0.003158316	2
146	1	22	PRO	HB3	H	2.338950	0.001125350	2
147	1	22	PRO	HG2	H	1.999801	0.003349832	2
148	1	22	PRO	HG3	H	1.999801	0.003349832	2
149	1	22	PRO	HD2	H	3.665961	0.002655127	2
150	1	22	PRO	HD3	H	3.856485	0.002051727	2
151	1	23	PRO	HA	H	2.610967	0.001133965	1
152	1	23	PRO	HB2	H	0.4268398	0.002060380	2
153	1	23	PRO	HB3	H	1.371847	0.002473269	2
154	1	23	PRO	HG2	H	1.642478	0.001286802	2
155	1	23	PRO	HG3	H	1.740963	0.0006859182	2
156	1	23	PRO	HD2	H	3.514779	0.002467169	2
157	1	23	PRO	HD3	H	3.514779	0.002467169	2
158	1	24	PRO	HA	H	4.312225	0.003238838	1
159	1	24	PRO	HB2	H	2.025143	0.001299884	2
160	1	24	PRO	HB3	H	2.216262	0.002177998	2
161	1	24	PRO	HG2	H	1.808104	0.001008200	2
162	1	24	PRO	HG3	H	1.933991	0.003801172	2
163	1	24	PRO	HD2	H	2.969894	0.002068564	2
164	1	24	PRO	HD3	H	3.132108	0.004147538	2
165	1	25	SER	H	H	7.675847	0.001009442	1
166	1	25	SER	HA	H	4.153123	0.0000583767	1
167	1	25	SER	HB2	H	3.780207	0.0003711186	2
168	1	25	SER	HB3	H	3.780207	0.0003711186	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