BMRB: 34951

Trp-cage fortified Tc5b-Exenatide chimera (Ex-4-Tc5bQR) at 288K

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: 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	4.338734	0.00002803	1
2	1	1	GLU	HB2	H	2.216231	0.0002808871	2
3	1	1	GLU	HB3	H	2.216231	0.0002808871	2
4	1	1	GLU	HG2	H	2.357081	0.0005739446	2
5	1	1	GLU	HG3	H	2.357081	0.0005739446	2
6	1	2	GLU	HA	H	4.335145	0.0001353146	1
7	1	3	GLU	H	H	9.032549	0.0007641236	1
8	1	3	GLU	HA	H	4.174460	0.001391664	1
9	1	3	GLU	HB2	H	2.030106	0.002436998	2
10	1	3	GLU	HB3	H	2.102794	0.001278272	2
11	1	3	GLU	HG2	H	2.338295	0.006243856	2
12	1	3	GLU	HG3	H	2.338295	0.006243856	2
13	1	4	ALA	H	H	8.675559	0.003211687	1
14	1	4	ALA	HA	H	4.105305	0.003126623	1
15	1	4	ALA	HB1	H	1.444982	0.001699543	1
16	1	4	ALA	HB2	H	1.444982	0.001699543	1
17	1	4	ALA	HB3	H	1.444982	0.001699543	1
18	1	5	VAL	H	H	7.454110	0.0003276267	1
19	1	5	VAL	HA	H	3.874445	0.002081097	1
20	1	5	VAL	HB	H	2.202671	0.001493520	1
21	1	5	VAL	HG11	H	1.036574	0.002813643	2
22	1	5	VAL	HG12	H	1.036574	0.002813643	2
23	1	5	VAL	HG13	H	1.036574	0.002813643	2
24	1	5	VAL	HG21	H	1.036574	0.002813643	2
25	1	5	VAL	HG22	H	1.036574	0.002813643	2
26	1	5	VAL	HG23	H	1.036574	0.002813643	2
27	1	6	ARG	H	H	7.992282	0.001427028	1
28	1	6	ARG	HA	H	4.041466	0.001057163	1
29	1	6	ARG	HB2	H	1.901697	0.001555760	2
30	1	6	ARG	HB3	H	1.973535	0.002781195	2
31	1	6	ARG	HG2	H	1.541310	0.0005859508	2
32	1	6	ARG	HG3	H	1.719046	0.001047657	2
33	1	6	ARG	HD2	H	3.188524	0.001384211	2
34	1	6	ARG	HD3	H	3.297220	0.0007158028	2
35	1	7	LEU	H	H	8.543541	0.001026478	1
36	1	7	LEU	HA	H	4.115488	0.001988727	1
37	1	7	LEU	HB2	H	1.402278	0.003395048	2
38	1	7	LEU	HB3	H	1.894412	0.0009456764	2
39	1	7	LEU	HG	H	1.814305	0.0008247472	1
40	1	7	LEU	HD11	H	0.8803045	0.01111666	2
41	1	7	LEU	HD12	H	0.8803045	0.01111666	2
42	1	7	LEU	HD13	H	0.8803045	0.01111666	2
43	1	7	LEU	HD21	H	0.9228364	0.003349826	2
44	1	7	LEU	HD22	H	0.9228364	0.003349826	2
45	1	7	LEU	HD23	H	0.9228364	0.003349826	2
46	1	8	TYR	H	H	8.168335	0.001907557	1
47	1	8	TYR	HA	H	4.189739	0.001122139	1
48	1	8	TYR	HB2	H	3.193346	0.0005707811	2
49	1	8	TYR	HB3	H	3.270986	0.0003839083	2
50	1	8	TYR	HD1	H	7.058511	0.002646460	3
51	1	8	TYR	HD2	H	7.058511	0.002646460	3
52	1	8	TYR	HE1	H	6.836172	0.001858938	3
53	1	8	TYR	HE2	H	6.836172	0.001858938	3
54	1	9	ILE	H	H	8.542227	0.002763659	1
55	1	9	ILE	HA	H	3.720939	0.0006474974	1
56	1	9	ILE	HB	H	2.050895	0.0006890882	1
57	1	9	ILE	HG12	H	1.385295	0.001499927	2
58	1	9	ILE	HG13	H	1.878031	0.0004686932	2
59	1	9	ILE	HG21	H	0.9622027	0.01152862	1
60	1	9	ILE	HG22	H	0.9622027	0.01152862	1
61	1	9	ILE	HG23	H	0.9622027	0.01152862	1
62	1	9	ILE	HD11	H	0.9247790	0.0009308283	1
63	1	9	ILE	HD12	H	0.9247790	0.0009308283	1
64	1	9	ILE	HD13	H	0.9247790	0.0009308283	1
65	1	10	GLN	H	H	8.020751	0.004105583	1
66	1	10	GLN	HA	H	4.046596	0.0001947352	1
67	1	10	GLN	HB2	H	2.180715	0.001352988	2
68	1	10	GLN	HB3	H	2.180773	0.001274809	2
69	1	10	GLN	HG2	H	2.376588	0.0004881207	2
70	1	10	GLN	HG3	H	2.440358	0.0009416785	2
71	1	10	GLN	HE21	H	6.992749	0.0004967322	2
72	1	10	GLN	HE22	H	7.603440	0.001102977	2
73	1	11	TRP	H	H	8.052325	0.0009461466	1
74	1	11	TRP	HA	H	4.294220	0.001425922	1
75	1	11	TRP	HB2	H	3.202424	0.0005809779	2
76	1	11	TRP	HB3	H	3.593193	0.001214294	2
77	1	11	TRP	HD1	H	7.082285	0.0007502979	1
78	1	11	TRP	HE1	H	9.681153	0.002164413	1
79	1	11	TRP	HE3	H	7.123917	0.001552505	1
80	1	11	TRP	HZ2	H	7.247354	0.003379251	1
81	1	11	TRP	HZ3	H	7.059052	0.001209816	1
82	1	11	TRP	HH2	H	7.214151	0.001234436	1
83	1	12	LEU	H	H	8.552006	0.001230730	1
84	1	12	LEU	HA	H	3.385465	0.001365479	1
85	1	12	LEU	HB2	H	1.389370	0.0008112321	2
86	1	12	LEU	HB3	H	1.918096	0.002543673	2
87	1	12	LEU	HG	H	1.595197	0.001470103	1
88	1	12	LEU	HD11	H	0.8268497	0.001149115	2
89	1	12	LEU	HD12	H	0.8268497	0.001149115	2
90	1	12	LEU	HD13	H	0.8268497	0.001149115	2
91	1	12	LEU	HD21	H	0.9292295	0.0003891964	2
92	1	12	LEU	HD22	H	0.9292295	0.0003891964	2
93	1	12	LEU	HD23	H	0.9292295	0.0003891964	2
94	1	13	LYS	H	H	8.371071	0.0008313935	1
95	1	13	LYS	HA	H	4.011636	0.0009170422	1
96	1	13	LYS	HB2	H	1.942679	0.001686635	2
97	1	13	LYS	HB3	H	1.942699	0.001821003	2
98	1	13	LYS	HG2	H	1.449705	0.002139614	2
99	1	13	LYS	HG3	H	1.449705	0.002139614	2
100	1	13	LYS	HD2	H	1.661975	0.0004302639	2
101	1	13	LYS	HD3	H	1.661975	0.0004302639	2
102	1	13	LYS	HE2	H	2.941321	0.001428448	2
103	1	13	LYS	HE3	H	2.941321	0.001428448	2
104	1	14	GLN	H	H	7.626768	0.0009952770	1
105	1	14	GLN	HA	H	4.292691	0.002072253	1
106	1	14	GLN	HB2	H	2.160570	0.0005582091	2
107	1	14	GLN	HB3	H	2.160836	0.0007589919	2
108	1	14	GLN	HG2	H	2.415049	0.002173702	2
109	1	14	GLN	HG3	H	2.579565	0.001366938	2
110	1	14	GLN	HE21	H	6.837270	0.001264744	2
111	1	14	GLN	HE22	H	7.467280	0.0007381856	2
112	1	15	GLY	H	H	7.596485	0.0008384459	1
113	1	15	GLY	HA2	H	3.522629	0.0004404416	2
114	1	15	GLY	HA3	H	4.155356	0.0001023615	2
115	1	16	GLY	H	H	8.085125	0.0006077842	1
116	1	16	GLY	HA2	H	1.331884	0.001006095	2
117	1	16	GLY	HA3	H	3.123846	0.001177443	2
118	1	17	PRO	HA	H	4.586260	0.001060084	1
119	1	17	PRO	HB2	H	2.054036	0.001805192	2
120	1	17	PRO	HB3	H	2.484145	0.001625099	2
121	1	17	PRO	HG2	H	2.136704	0.003806236	2
122	1	17	PRO	HG3	H	2.136704	0.003806236	2
123	1	17	PRO	HD2	H	3.340189	0.002513586	2
124	1	17	PRO	HD3	H	3.757103	0.0009064740	2
125	1	18	SER	H	H	7.923147	0.0003598320	1
126	1	18	SER	HA	H	4.448424	0.0002168573	1
127	1	18	SER	HB2	H	3.922536	0.002074827	2
128	1	18	SER	HB3	H	3.922897	0.001769351	2
129	1	19	SER	H	H	8.134696	0.0007177803	1
130	1	19	SER	HA	H	4.274516	0.001890108	1
131	1	19	SER	HB2	H	3.630966	0.0005296017	2
132	1	19	SER	HB3	H	3.924140	0.001315129	2
133	1	20	GLY	H	H	8.043177	0.0004634752	1
134	1	20	GLY	HA2	H	3.859418	0.001057217	2
135	1	20	GLY	HA3	H	4.206419	0.0001115981	2
136	1	21	ARG	H	H	8.024533	0.0001373455	1
137	1	21	ARG	HA	H	4.853768	0.001399397	1
138	1	21	ARG	HB2	H	1.781394	0.001891654	2
139	1	21	ARG	HB3	H	1.932426	0.003165795	2
140	1	21	ARG	HG2	H	1.658359	0.001339954	2
141	1	21	ARG	HG3	H	1.694701	0.0001625655	2
142	1	21	ARG	HD2	H	3.243473	0.0002225095	2
143	1	21	ARG	HD3	H	3.244250	0.0004518237	2
144	1	22	PRO	HA	H	4.692879	0.003397070	1
145	1	22	PRO	HB2	H	1.802504	0.007925455	2
146	1	22	PRO	HB3	H	2.284176	0.001427347	2
147	1	22	PRO	HG2	H	2.001295	0.005131370	2
148	1	22	PRO	HG3	H	2.001295	0.005131370	2
149	1	22	PRO	HD2	H	3.646365	0.002323339	2
150	1	22	PRO	HD3	H	3.854022	0.001183643	2
151	1	23	PRO	HA	H	2.851876	0.005418253	1
152	1	23	PRO	HB2	H	0.7315813	0.005525571	2
153	1	23	PRO	HB3	H	1.465234	0.002945599	2
154	1	23	PRO	HG2	H	1.676060	0.002835062	2
155	1	23	PRO	HG3	H	1.760993	0.002236267	2
156	1	23	PRO	HD2	H	3.507210	0.002978495	2
157	1	23	PRO	HD3	H	3.507210	0.002978495	2
158	1	24	PRO	HA	H	4.301455	0.001200161	1
159	1	24	PRO	HB2	H	1.991151	0.0006050717	2
160	1	24	PRO	HB3	H	2.230634	0.001458429	2
161	1	24	PRO	HG2	H	1.834389	0.0006287862	2
162	1	24	PRO	HG3	H	1.946010	0.0004845025	2
163	1	24	PRO	HD2	H	3.071230	0.002773077	2
164	1	24	PRO	HD3	H	3.177270	0.0008660874	2
165	1	25	SER	H	H	7.792660	0.002412983	1
166	1	25	SER	HA	H	4.158121	0.0002371253	1
167	1	25	SER	HB2	H	3.790190	0.0009489036	2
168	1	25	SER	HB3	H	3.790190	0.0009489036	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