BMRB: 34927

Trp-cage fortified Tc5b-Exenatide chimera (Ex4-Tc5bER) at 288K

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: 166 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	4.330551	0.0004187173	1
2	1	2	GLU	HB2	H	2.009879	0.003203847	2
3	1	2	GLU	HB3	H	2.221783	0.005327001	2
4	1	2	GLU	HG2	H	2.362602	0.003411676	2
5	1	2	GLU	HG3	H	2.380923	0.01353612	2
6	1	3	GLU	H	H	9.040406	0.0002519791	1
7	1	3	GLU	HA	H	4.166660	0.003382848	1
8	1	3	GLU	HB2	H	2.030374	0.003598587	2
9	1	3	GLU	HB3	H	2.108452	0.0006782220	2
10	1	3	GLU	HG2	H	2.337319	0.003418351	2
11	1	3	GLU	HG3	H	2.338204	0.004827251	2
12	1	4	ALA	H	H	8.665057	0.001049462	1
13	1	4	ALA	HA	H	4.099088	0.001989682	1
14	1	4	ALA	HB1	H	1.447392	0.002784913	1
15	1	4	ALA	HB2	H	1.447392	0.002784913	1
16	1	4	ALA	HB3	H	1.447392	0.002784913	1
17	1	5	VAL	H	H	7.445857	0.0004831348	1
18	1	5	VAL	HA	H	3.860775	0.0009904029	1
19	1	5	VAL	HB	H	2.213347	0.004042060	1
20	1	5	VAL	HG11	H	1.035702	0.004831248	2
21	1	5	VAL	HG12	H	1.035702	0.004831248	2
22	1	5	VAL	HG13	H	1.035702	0.004831248	2
23	1	5	VAL	HG21	H	1.037071	0.005738606	2
24	1	5	VAL	HG22	H	1.037071	0.005738606	2
25	1	5	VAL	HG23	H	1.037071	0.005738606	2
26	1	6	ARG	H	H	7.980580	0.001633087	1
27	1	6	ARG	HA	H	4.028145	0.001055490	1
28	1	6	ARG	HB2	H	1.922733	0.004183966	2
29	1	6	ARG	HB3	H	1.994339	0.004640354	2
30	1	6	ARG	HG2	H	1.574459	0.005332279	2
31	1	6	ARG	HG3	H	1.728875	0.002157394	2
32	1	6	ARG	HD2	H	3.187334	0.002287324	2
33	1	6	ARG	HD3	H	3.290629	0.004344711	2
34	1	6	ARG	HE	H	7.754717	0	1
35	1	7	LEU	H	H	8.561376	0.001894812	1
36	1	7	LEU	HA	H	4.130193	0.002377728	1
37	1	7	LEU	HB2	H	1.386321	0.003031093	2
38	1	7	LEU	HB3	H	1.921224	0.001196173	2
39	1	7	LEU	HG	H	1.819185	0.002561784	1
40	1	7	LEU	HD11	H	0.8913933	0.0009401193	2
41	1	7	LEU	HD12	H	0.8913933	0.0009401193	2
42	1	7	LEU	HD13	H	0.8913933	0.0009401193	2
43	1	7	LEU	HD21	H	0.9253362	0.002121960	2
44	1	7	LEU	HD22	H	0.9253362	0.002121960	2
45	1	7	LEU	HD23	H	0.9253362	0.002121960	2
46	1	8	TYR	H	H	8.176226	0.0009616600	1
47	1	8	TYR	HA	H	4.137444	0.002351002	1
48	1	8	TYR	HB2	H	3.178576	0.001483477	2
49	1	8	TYR	HB3	H	3.267066	0.002246171	2
50	1	8	TYR	HD1	H	7.023365	0.002325244	3
51	1	8	TYR	HD2	H	7.023365	0.002325244	3
52	1	8	TYR	HE1	H	6.817512	0.001059410	3
53	1	8	TYR	HE2	H	6.817512	0.001059410	3
54	1	9	ILE	H	H	8.569396	0.001271730	1
55	1	9	ILE	HA	H	3.704879	0.002299594	1
56	1	9	ILE	HB	H	2.048265	0.003023441	1
57	1	9	ILE	HG12	H	1.380044	0.001468525	2
58	1	9	ILE	HG13	H	1.901186	0.002419019	2
59	1	9	ILE	HG21	H	0.9706701	0.004020964	1
60	1	9	ILE	HG22	H	0.9706701	0.004020964	1
61	1	9	ILE	HG23	H	0.9706701	0.004020964	1
62	1	9	ILE	HD11	H	0.9362648	0.005943334	1
63	1	9	ILE	HD12	H	0.9362648	0.005943334	1
64	1	9	ILE	HD13	H	0.9362648	0.005943334	1
65	1	10	GLN	H	H	7.975396	0.002923923	1
66	1	10	GLN	HA	H	4.028789	0.001960987	1
67	1	10	GLN	HB2	H	2.124937	0.004803175	2
68	1	10	GLN	HB3	H	2.211533	0.002597261	2
69	1	10	GLN	HG2	H	2.355989	0.001923141	2
70	1	10	GLN	HG3	H	2.414267	0.002379310	2
71	1	10	GLN	HE21	H	6.921785	0.0009061823	2
72	1	10	GLN	HE22	H	8.099897	0.0005775410	2
73	1	11	TRP	H	H	7.981425	0.002442368	1
74	1	11	TRP	HA	H	4.195116	0.001377078	1
75	1	11	TRP	HB2	H	3.146068	0.004838737	2
76	1	11	TRP	HB3	H	3.577030	0.001259684	2
77	1	11	TRP	HD1	H	7.005014	0.002843497	1
78	1	11	TRP	HE1	H	9.649010	0.0005728979	1
79	1	11	TRP	HE3	H	7.073675	0.001128337	1
80	1	11	TRP	HZ2	H	7.207158	0.0006512340	1
81	1	11	TRP	HZ3	H	7.103249	0.002885182	1
82	1	11	TRP	HH2	H	7.207226	0.0008354323	1
83	1	12	LEU	H	H	8.484589	0.0006981745	1
84	1	12	LEU	HA	H	3.367441	0.001161912	1
85	1	12	LEU	HB2	H	1.347784	0.001054933	2
86	1	12	LEU	HB3	H	1.966007	0.002046930	2
87	1	12	LEU	HG	H	1.631401	0.002797955	1
88	1	12	LEU	HD11	H	0.8291092	0.001342920	2
89	1	12	LEU	HD12	H	0.8291092	0.001342920	2
90	1	12	LEU	HD13	H	0.8291092	0.001342920	2
91	1	12	LEU	HD21	H	0.9406565	0.002102974	2
92	1	12	LEU	HD22	H	0.9406565	0.002102974	2
93	1	12	LEU	HD23	H	0.9406565	0.002102974	2
94	1	13	LYS	H	H	8.358873	0.0008329529	1
95	1	13	LYS	HA	H	3.960706	0.002023867	1
96	1	13	LYS	HB2	H	1.981541	0.002636991	2
97	1	13	LYS	HB3	H	1.981541	0.002636991	2
98	1	13	LYS	HG2	H	1.429969	0.001591589	2
99	1	13	LYS	HG3	H	1.579557	0.004212465	2
100	1	13	LYS	HD2	H	1.665683	0.004342271	2
101	1	13	LYS	HD3	H	1.666505	0.004661388	2
102	1	13	LYS	HE2	H	2.948197	0.001613293	2
103	1	14	GLU	H	H	7.660559	0.001140507	1
104	1	14	GLU	HA	H	4.161121	0.002016442	1
105	1	14	GLU	HB2	H	1.988028	0.003686677	2
106	1	14	GLU	HB3	H	2.223071	0.001992978	2
107	1	14	GLU	HG2	H	2.264197	0.0003959350	2
108	1	14	GLU	HG3	H	2.545013	0.001192065	2
109	1	15	GLY	H	H	7.553336	0.001752591	1
110	1	15	GLY	HA2	H	3.483162	0.006059732	2
111	1	15	GLY	HA3	H	4.159609	0.001694895	2
112	1	16	GLY	H	H	8.264828	0.001118866	1
113	1	16	GLY	HA2	H	0.9765955	0.0003874192	2
114	1	16	GLY	HA3	H	3.071009	0.001822333	2
115	1	17	PRO	HA	H	4.601784	0.001416981	1
116	1	17	PRO	HB2	H	2.054595	0.002960965	2
117	1	17	PRO	HB3	H	2.510483	0.0009562523	2
118	1	17	PRO	HG2	H	2.143961	0.0007019749	2
119	1	17	PRO	HG3	H	2.144183	0.001472818	2
120	1	17	PRO	HD2	H	3.368325	0.002932819	2
121	1	17	PRO	HD3	H	3.786346	0.001208435	2
122	1	18	SER	H	H	7.786076	0.002505939	1
123	1	18	SER	HA	H	4.457485	0.0008584604	1
124	1	18	SER	HB2	H	3.925396	0.001955836	2
125	1	18	SER	HB3	H	3.925396	0.001955836	2
126	1	19	SER	H	H	8.182719	0.002769870	1
127	1	19	SER	HA	H	4.213026	0.0007508177	1
128	1	19	SER	HB2	H	3.569962	0.005882061	2
129	1	19	SER	HB3	H	3.918008	0.003831574	2
130	1	20	GLY	H	H	7.979043	0.001695263	1
131	1	20	GLY	HA2	H	3.825466	0.003679438	2
132	1	20	GLY	HA3	H	4.249667	0.001592802	2
133	1	21	ARG	H	H	8.097920	0.002363510	1
134	1	21	ARG	HA	H	4.967279	0.0008277995	1
135	1	21	ARG	HB2	H	1.868145	0.001457702	2
136	1	21	ARG	HB3	H	1.868145	0.001457702	2
137	1	21	ARG	HG2	H	1.659966	0.003287752	2
138	1	21	ARG	HG3	H	1.771173	0.001347692	2
139	1	21	ARG	HD2	H	3.265872	0.0009411629	2
140	1	21	ARG	HD3	H	3.266168	0.0007334757	2
141	1	21	ARG	HE	H	7.665676	0	1
142	1	22	PRO	HA	H	4.737552	0.001508930	1
143	1	22	PRO	HB2	H	1.796457	0.0009538447	2
144	1	22	PRO	HB3	H	2.327230	0.002101720	2
145	1	22	PRO	HG2	H	1.994733	0.002603884	2
146	1	22	PRO	HG3	H	1.994733	0.002603884	2
147	1	22	PRO	HD2	H	3.666739	0.002000044	2
148	1	22	PRO	HD3	H	3.863283	0.0008846525	2
149	1	23	PRO	HA	H	2.576411	0.002502918	1
150	1	23	PRO	HB2	H	0.4796101	0.002408963	2
151	1	23	PRO	HB3	H	1.387934	0.002239402	2
152	1	23	PRO	HG2	H	1.655809	0.001697811	2
153	1	23	PRO	HG3	H	1.739719	0.003428901	2
154	1	23	PRO	HD2	H	3.506988	0.003544456	2
155	1	23	PRO	HD3	H	3.509948	0.003397813	2
156	1	24	PRO	HA	H	4.291414	0.002809386	1
157	1	24	PRO	HB2	H	2.010825	0.003015096	2
158	1	24	PRO	HB3	H	2.224538	0.001740588	2
159	1	24	PRO	HG2	H	1.815792	0.003178239	2
160	1	24	PRO	HG3	H	1.931070	0.004058386	2
161	1	24	PRO	HD2	H	2.969924	0.003047227	2
162	1	24	PRO	HD3	H	3.086520	0.003048587	2
163	1	25	SER	H	H	7.753233	0.001509030	1
164	1	25	SER	HA	H	4.146935	0.002188573	1
165	1	25	SER	HB2	H	3.784221	0.002572352	2
166	1	25	SER	HB3	H	3.784221	0.002572352	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