BMRB: 34937

Trp-cage fortified Tc5b-Exenatide chimera (Ex4-Tc5bER) at 277K

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: 172 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	4.040098	0.0002755504	1
2	1	1	GLU	HB2	H	2.082617	0.0009144226	2
3	1	1	GLU	HB3	H	2.082617	0.0009144226	2
4	1	1	GLU	HG2	H	2.363404	0.000086468	2
5	1	1	GLU	HG3	H	2.364247	0.001194471	2
6	1	2	GLU	HA	H	4.334482	0.001458669	1
7	1	2	GLU	HB2	H	2.017259	0.001785124	2
8	1	2	GLU	HB3	H	2.241186	0.001593379	2
9	1	2	GLU	HG2	H	2.380569	0.004713170	2
10	1	2	GLU	HG3	H	2.416564	0.001158411	2
11	1	3	GLU	H	H	9.131465	0.0006544359	1
12	1	3	GLU	HA	H	4.205680	0.001570044	1
13	1	3	GLU	HB2	H	2.031233	0.003811514	2
14	1	3	GLU	HB3	H	2.132061	0.001229380	2
15	1	3	GLU	HG2	H	2.355651	0.003804608	2
16	1	3	GLU	HG3	H	2.355681	0.004348097	2
17	1	4	ALA	H	H	8.751748	0.0007029239	1
18	1	4	ALA	HA	H	4.107118	0.002230023	1
19	1	4	ALA	HB1	H	1.457452	0.001721999	1
20	1	4	ALA	HB2	H	1.457452	0.001721999	1
21	1	4	ALA	HB3	H	1.457452	0.001721999	1
22	1	5	VAL	H	H	7.432805	0.001410149	1
23	1	5	VAL	HA	H	3.851128	0.002310971	1
24	1	5	VAL	HB	H	2.225828	0.003397305	1
25	1	5	VAL	HG11	H	1.044052	0.004371746	2
26	1	5	VAL	HG12	H	1.044052	0.004371746	2
27	1	5	VAL	HG13	H	1.044052	0.004371746	2
28	1	5	VAL	HG21	H	1.045178	0.004502822	2
29	1	5	VAL	HG22	H	1.045178	0.004502822	2
30	1	5	VAL	HG23	H	1.045178	0.004502822	2
31	1	6	ARG	H	H	8.033150	0.0004153277	1
32	1	6	ARG	HA	H	4.020998	0.002721093	1
33	1	6	ARG	HB2	H	1.927989	0.0008747452	2
34	1	6	ARG	HB3	H	2.022360	0.002049498	2
35	1	6	ARG	HG2	H	1.567081	0.002006305	2
36	1	6	ARG	HG3	H	1.734923	0.002347791	2
37	1	6	ARG	HD2	H	3.189251	0.002319345	2
38	1	6	ARG	HD3	H	3.324246	0.002387372	2
39	1	6	ARG	HE	H	7.876849	0.001093270	1
40	1	7	LEU	H	H	8.670632	0.001493426	1
41	1	7	LEU	HA	H	4.130412	0.002250141	1
42	1	7	LEU	HB2	H	1.386373	0.001358703	2
43	1	7	LEU	HB3	H	1.957940	0.005522102	2
44	1	7	LEU	HG	H	1.847087	0.005603607	1
45	1	7	LEU	HD11	H	0.9027626	0.001867026	2
46	1	7	LEU	HD12	H	0.9027626	0.001867026	2
47	1	7	LEU	HD13	H	0.9027626	0.001867026	2
48	1	7	LEU	HD21	H	0.9380924	0.001651527	2
49	1	7	LEU	HD22	H	0.9380924	0.001651527	2
50	1	7	LEU	HD23	H	0.9380924	0.001651527	2
51	1	8	TYR	H	H	8.210398	0.001147833	1
52	1	8	TYR	HA	H	4.136568	0.002964808	1
53	1	8	TYR	HB2	H	3.193138	0.001545661	2
54	1	8	TYR	HB3	H	3.298836	0.002814541	2
55	1	8	TYR	HD1	H	7.052195	0.001509619	3
56	1	8	TYR	HD2	H	7.052195	0.001509619	3
57	1	8	TYR	HE1	H	6.838375	0.002093640	3
58	1	8	TYR	HE2	H	6.838375	0.002093640	3
59	1	9	ILE	H	H	8.654016	0.0007174585	1
60	1	9	ILE	HA	H	3.708270	0.002836368	1
61	1	9	ILE	HB	H	2.055380	0.001958728	1
62	1	9	ILE	HG12	H	1.383530	0.002786720	2
63	1	9	ILE	HG13	H	1.936751	0.001290736	2
64	1	9	ILE	HG21	H	0.9885924	0.002531255	1
65	1	9	ILE	HG22	H	0.9885924	0.002531255	1
66	1	9	ILE	HG23	H	0.9885924	0.002531255	1
67	1	9	ILE	HD11	H	0.9340816	0.002302976	1
68	1	9	ILE	HD12	H	0.9340816	0.002302976	1
69	1	9	ILE	HD13	H	0.9340816	0.002302976	1
70	1	10	GLN	H	H	7.993941	0.0009076441	1
71	1	10	GLN	HA	H	4.056915	0.001748509	1
72	1	10	GLN	HB2	H	2.135203	0.003907120	2
73	1	10	GLN	HB3	H	2.135217	0.003403871	2
74	1	10	GLN	HG2	H	2.225939	0.001754066	2
75	1	10	GLN	HG3	H	2.424103	0.001188899	2
76	1	10	GLN	HE21	H	7.007140	0.001985109	2
77	1	10	GLN	HE22	H	8.243891	0.0008515162	2
78	1	11	TRP	H	H	8.012840	0.002109912	1
79	1	11	TRP	HA	H	4.192463	0.004070097	1
80	1	11	TRP	HB2	H	3.142665	0.002054012	2
81	1	11	TRP	HB3	H	3.586326	0.002066812	2
82	1	11	TRP	HD1	H	6.998890	0.0009136021	1
83	1	11	TRP	HE1	H	9.663705	0.0004001332	1
84	1	11	TRP	HE3	H	7.051843	0.001619645	1
85	1	11	TRP	HZ2	H	7.211399	0.001293032	1
86	1	11	TRP	HZ3	H	7.128897	0.001789401	1
87	1	11	TRP	HH2	H	7.218797	0.003408990	1
88	1	12	LEU	H	H	8.536930	0.0006460450	1
89	1	12	LEU	HA	H	3.361045	0.0009138607	1
90	1	12	LEU	HB2	H	1.344876	0.002278367	2
91	1	12	LEU	HB3	H	1.996124	0.003094895	2
92	1	12	LEU	HG	H	1.651475	0.003540643	1
93	1	12	LEU	HD11	H	0.8462586	0.001640228	2
94	1	12	LEU	HD12	H	0.8462586	0.001640228	2
95	1	12	LEU	HD13	H	0.8462586	0.001640228	2
96	1	12	LEU	HD21	H	0.9742128	0.001139631	2
97	1	12	LEU	HD22	H	0.9742128	0.001139631	2
98	1	12	LEU	HD23	H	0.9742128	0.001139631	2
99	1	13	LYS	H	H	8.386062	0.0008283977	1
100	1	13	LYS	HA	H	3.970001	0.001441839	1
101	1	13	LYS	HB2	H	2.012332	0.002652437	2
102	1	13	LYS	HB3	H	2.012332	0.002652437	2
103	1	13	LYS	HG2	H	1.438528	0.002381367	2
104	1	13	LYS	HG3	H	1.583385	0.0008667957	2
105	1	13	LYS	HD2	H	1.682332	0.001274198	2
106	1	13	LYS	HD3	H	1.682332	0.001274198	2
107	1	13	LYS	HE2	H	2.955750	0.001016461	2
108	1	14	GLU	H	H	7.668624	0.0008416456	1
109	1	14	GLU	HA	H	4.154662	0.0005674265	1
110	1	14	GLU	HB2	H	2.007004	0.002445682	2
111	1	14	GLU	HB3	H	2.007972	0.003432919	2
112	1	14	GLU	HG2	H	2.263873	0.006882463	2
113	1	14	GLU	HG3	H	2.581662	0.001132098	2
114	1	15	GLY	H	H	7.573255	0.001364201	1
115	1	15	GLY	HA2	H	3.474412	0.001104688	2
116	1	15	GLY	HA3	H	4.183637	0.003460871	2
117	1	16	GLY	H	H	8.309584	0.001747447	1
118	1	16	GLY	HA2	H	0.8215356	0.005914693	2
119	1	16	GLY	HA3	H	3.090139	0.002143106	2
120	1	17	PRO	HA	H	4.641260	0.001220534	1
121	1	17	PRO	HB2	H	2.080336	0.001776150	2
122	1	17	PRO	HB3	H	2.531409	0.0006765358	2
123	1	17	PRO	HG2	H	2.173463	0.0008218607	2
124	1	17	PRO	HG3	H	2.173463	0.0008218607	2
125	1	17	PRO	HD2	H	3.425547	0.002236933	2
126	1	17	PRO	HD3	H	3.825158	0.001450142	2
127	1	18	SER	H	H	7.813608	0.001544907	1
128	1	18	SER	HA	H	4.477713	0.001145964	1
129	1	18	SER	HB2	H	3.941266	0.001804141	2
130	1	18	SER	HB3	H	3.941266	0.001804141	2
131	1	19	SER	H	H	8.229563	0.0005080245	1
132	1	19	SER	HA	H	4.207996	0.0003234237	1
133	1	19	SER	HB2	H	3.549073	0.004975750	2
134	1	19	SER	HB3	H	3.926750	0.003788607	2
135	1	20	GLY	H	H	8.020691	0.001059355	1
136	1	20	GLY	HA2	H	3.832031	0.002785423	2
137	1	20	GLY	HA3	H	4.277665	0.00009178	2
138	1	21	ARG	H	H	8.139035	0.001539295	1
139	1	21	ARG	HA	H	5.021754	0.001457406	1
140	1	21	ARG	HB2	H	1.880197	0.001101909	2
141	1	21	ARG	HB3	H	1.880286	0.001078925	2
142	1	21	ARG	HG2	H	1.667932	0.002747485	2
143	1	21	ARG	HG3	H	1.794894	0.004289836	2
144	1	21	ARG	HD2	H	3.280426	0.001759194	2
145	1	21	ARG	HD3	H	3.280426	0.001759194	2
146	1	21	ARG	HE	H	7.783121	0.001516628	1
147	1	21	ARG	HH12	H	7.197754	0	2
148	1	22	PRO	HA	H	4.758081	0.001234620	1
149	1	22	PRO	HB2	H	1.802722	0.003705768	2
150	1	22	PRO	HB3	H	2.349605	0.002500655	2
151	1	22	PRO	HG2	H	1.996404	0.006324619	2
152	1	22	PRO	HG3	H	2.023483	0.005392616	2
153	1	22	PRO	HD2	H	3.686511	0.002670223	2
154	1	22	PRO	HD3	H	3.880174	0.002177200	2
155	1	23	PRO	HA	H	2.476533	0.001133676	1
156	1	23	PRO	HB2	H	0.3902212	0.002615578	2
157	1	23	PRO	HB3	H	1.385580	0.002872030	2
158	1	23	PRO	HG2	H	1.673548	0.001229443	2
159	1	23	PRO	HG3	H	1.730073	0.003935936	2
160	1	23	PRO	HD2	H	3.520288	0.002585471	2
161	1	23	PRO	HD3	H	3.520341	0.002481698	2
162	1	24	PRO	HA	H	4.294624	0.003148919	1
163	1	24	PRO	HB2	H	2.041020	0.002102712	2
164	1	24	PRO	HB3	H	2.242748	0.002174069	2
165	1	24	PRO	HG2	H	1.817768	0.002331551	2
166	1	24	PRO	HG3	H	1.960045	0.002744864	2
167	1	24	PRO	HD2	H	2.970934	0.001432204	2
168	1	24	PRO	HD3	H	3.087262	0.002498784	2
169	1	25	SER	H	H	7.830604	0.0007120676	1
170	1	25	SER	HA	H	4.150118	0.002956607	1
171	1	25	SER	HB2	H	3.800743	0.0005175997	2
172	1	25	SER	HB3	H	3.800743	0.0005175997	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