BMRB: 34933

Trp-cage fortified Tc5b-Exenatide chimera ( Ex-4-Tc5bDR) at 288K

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: 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	4.009978	0.0000446	1
2	1	1	GLU	HB2	H	2.053177	0.0001732247	2
3	1	1	GLU	HB3	H	2.121230	0.001451169	2
4	1	1	GLU	HG2	H	2.349195	0.002634709	2
5	1	1	GLU	HG3	H	2.349195	0.002634709	2
6	1	2	GLU	HA	H	4.327612	0.003238537	1
7	1	2	GLU	HB2	H	2.015048	0.002355713	2
8	1	2	GLU	HB3	H	2.015048	0.002355713	2
9	1	2	GLU	HG2	H	2.365084	0.001627356	2
10	1	2	GLU	HG3	H	2.384807	0.003312863	2
11	1	3	GLU	H	H	9.046639	0.0006145351	1
12	1	3	GLU	HA	H	4.163908	0.004378966	1
13	1	3	GLU	HB2	H	2.039075	0.001853937	2
14	1	3	GLU	HB3	H	2.116761	0.002138290	2
15	1	3	GLU	HG2	H	2.332975	0.005962059	2
16	1	3	GLU	HG3	H	2.332975	0.005962059	2
17	1	4	ALA	H	H	8.658263	0.0008425947	1
18	1	4	ALA	HA	H	4.099188	0.0002738269	1
19	1	4	ALA	HB1	H	1.455903	0.002013609	1
20	1	4	ALA	HB2	H	1.455903	0.002013609	1
21	1	4	ALA	HB3	H	1.455903	0.002013609	1
22	1	5	VAL	H	H	7.444681	0.0009485726	1
23	1	5	VAL	HA	H	3.854542	0.002008684	1
24	1	5	VAL	HB	H	2.220903	0.001945271	1
25	1	5	VAL	HG11	H	1.039206	0.003156127	2
26	1	5	VAL	HG12	H	1.039206	0.003156127	2
27	1	5	VAL	HG13	H	1.039206	0.003156127	2
28	1	5	VAL	HG21	H	1.052993	0.001813971	2
29	1	5	VAL	HG22	H	1.052993	0.001813971	2
30	1	5	VAL	HG23	H	1.052993	0.001813971	2
31	1	6	ARG	H	H	7.975047	0.002368483	1
32	1	6	ARG	HA	H	4.021292	0.001376542	1
33	1	6	ARG	HB2	H	1.943577	0.002174290	2
34	1	6	ARG	HB3	H	1.994990	0.002425392	2
35	1	6	ARG	HG2	H	1.581609	0.002366719	2
36	1	6	ARG	HG3	H	1.743696	0.002474818	2
37	1	6	ARG	HD2	H	3.209584	0.001610512	2
38	1	6	ARG	HD3	H	3.294523	0.003012002	2
39	1	7	LEU	H	H	8.587281	0.0009391443	1
40	1	7	LEU	HA	H	4.131619	0.001563581	1
41	1	7	LEU	HB2	H	1.373178	0.003242685	2
42	1	7	LEU	HB3	H	1.947923	0.003246333	2
43	1	7	LEU	HG	H	1.835283	0.004721117	1
44	1	7	LEU	HD11	H	0.9038773	0.001210954	2
45	1	7	LEU	HD12	H	0.9038773	0.001210954	2
46	1	7	LEU	HD13	H	0.9038773	0.001210954	2
47	1	7	LEU	HD21	H	0.9339221	0.002489150	2
48	1	7	LEU	HD22	H	0.9339221	0.002489150	2
49	1	7	LEU	HD23	H	0.9339221	0.002489150	2
50	1	8	TYR	H	H	8.230104	0.0009283815	1
51	1	8	TYR	HA	H	4.112172	0.002502524	1
52	1	8	TYR	HB2	H	3.157796	0.002777428	2
53	1	8	TYR	HB3	H	3.256632	0.001168817	2
54	1	8	TYR	HD1	H	6.994317	0.001469589	3
55	1	8	TYR	HD2	H	6.994317	0.001469589	3
56	1	8	TYR	HE1	H	6.801353	0.0006865014	3
57	1	8	TYR	HE2	H	6.801353	0.0006865014	3
58	1	9	ILE	H	H	8.581734	0.001299227	1
59	1	9	ILE	HA	H	3.694858	0.002433410	1
60	1	9	ILE	HB	H	2.042483	0.0009729464	1
61	1	9	ILE	HG12	H	1.377131	0.005408801	2
62	1	9	ILE	HG13	H	1.909110	0.001491088	2
63	1	9	ILE	HG21	H	0.9559398	0.002233631	1
64	1	9	ILE	HG22	H	0.9559398	0.002233631	1
65	1	9	ILE	HG23	H	0.9559398	0.002233631	1
66	1	9	ILE	HD11	H	0.9245588	0.002414233	1
67	1	9	ILE	HD12	H	0.9245588	0.002414233	1
68	1	9	ILE	HD13	H	0.9245588	0.002414233	1
69	1	10	GLN	H	H	8.009127	0.001994317	1
70	1	10	GLN	HA	H	3.904793	0.001295093	1
71	1	10	GLN	HB2	H	2.122857	0.003640654	2
72	1	10	GLN	HB3	H	2.233300	0.002588934	2
73	1	10	GLN	HG2	H	2.376081	0.001230806	2
74	1	10	GLN	HG3	H	2.427901	0.0008062186	2
75	1	10	GLN	HE21	H	7.011872	0.003078797	2
76	1	10	GLN	HE22	H	7.871040	0.002069177	2
77	1	11	TRP	H	H	8.045853	0.004260010	1
78	1	11	TRP	HA	H	4.246139	0.002805890	1
79	1	11	TRP	HB2	H	3.156603	0.001894881	2
80	1	11	TRP	HB3	H	3.593091	0.001918074	2
81	1	11	TRP	HD1	H	6.984364	0.0004335436	1
82	1	11	TRP	HE1	H	9.697475	0.0003045729	1
83	1	11	TRP	HE3	H	7.037654	0.001791772	1
84	1	11	TRP	HZ2	H	7.185410	0.0005917092	1
85	1	11	TRP	HZ3	H	7.127425	0.001488704	1
86	1	11	TRP	HH2	H	7.205375	0.001489380	1
87	1	12	LEU	H	H	8.387790	0.0009102016	1
88	1	12	LEU	HA	H	3.386444	0.002319529	1
89	1	12	LEU	HB2	H	1.319230	0.003589092	2
90	1	12	LEU	HB3	H	1.990907	0.001901663	2
91	1	12	LEU	HG	H	1.645329	0.002620714	1
92	1	12	LEU	HD11	H	0.8432130	0.003316902	2
93	1	12	LEU	HD12	H	0.8432130	0.003316902	2
94	1	12	LEU	HD13	H	0.8432130	0.003316902	2
95	1	12	LEU	HD21	H	0.9509277	0.003359183	2
96	1	12	LEU	HD22	H	0.9509277	0.003359183	2
97	1	12	LEU	HD23	H	0.9509277	0.003359183	2
98	1	13	LYS	H	H	8.384503	0.001662396	1
99	1	13	LYS	HA	H	3.914311	0.001483048	1
100	1	13	LYS	HB2	H	1.929898	0.001902569	2
101	1	13	LYS	HB3	H	1.929898	0.001902569	2
102	1	13	LYS	HG2	H	1.433392	0.001162604	2
103	1	13	LYS	HG3	H	1.566228	0.005799965	2
104	1	13	LYS	HD2	H	1.634974	0.003738089	2
105	1	13	LYS	HD3	H	1.634989	0.003964582	2
106	1	13	LYS	HE2	H	2.927429	0.001296998	2
107	1	13	LYS	HE3	H	2.927429	0.001296998	2
108	1	14	ASP	H	H	8.007175	0.001130629	1
109	1	14	ASP	HA	H	4.519776	0.001298642	1
110	1	14	ASP	HB2	H	2.729896	0.001398800	2
111	1	14	ASP	HB3	H	2.917720	0.004588799	2
112	1	15	GLY	H	H	7.541152	0.003131810	1
113	1	15	GLY	HA2	H	3.459313	0.003771562	2
114	1	15	GLY	HA3	H	4.157686	0.003334732	2
115	1	16	GLY	H	H	8.506233	0.001123250	1
116	1	16	GLY	HA2	H	0.6931015	0.002276102	2
117	1	16	GLY	HA3	H	3.134312	0.002099205	2
118	1	17	PRO	HA	H	4.643565	0.002335974	1
119	1	17	PRO	HB2	H	2.069080	0.002144175	2
120	1	17	PRO	HB3	H	2.530729	0.006434453	2
121	1	17	PRO	HG2	H	2.170717	0.002280163	2
122	1	17	PRO	HG3	H	2.170717	0.002280163	2
123	1	17	PRO	HD2	H	3.472382	0.003269978	2
124	1	17	PRO	HD3	H	3.832229	0.005409817	2
125	1	18	SER	H	H	7.719774	0.002560018	1
126	1	18	SER	HA	H	4.488324	0.0006032962	1
127	1	18	SER	HB2	H	3.911187	0.001192908	2
128	1	18	SER	HB3	H	3.935025	0.005351119	2
129	1	19	SER	H	H	8.234906	0.001992008	1
130	1	19	SER	HA	H	4.134301	0.0008337435	1
131	1	19	SER	HB2	H	3.469888	0.003668616	2
132	1	19	SER	HB3	H	3.845230	0.002279818	2
133	1	19	SER	HG	H	4.701342	0.004883175	1
134	1	20	GLY	H	H	7.968129	0.003511220	1
135	1	20	GLY	HA2	H	3.798250	0.003037619	2
136	1	20	GLY	HA3	H	4.293653	0.0003881903	2
137	1	21	ARG	H	H	8.178063	0.002240694	1
138	1	21	ARG	HA	H	5.073895	0.0004441274	1
139	1	21	ARG	HB2	H	1.808547	0.002212338	2
140	1	21	ARG	HB3	H	1.911927	0.003428377	2
141	1	21	ARG	HG2	H	1.652707	0.001445991	2
142	1	21	ARG	HG3	H	1.652707	0.001445991	2
143	1	21	ARG	HD2	H	3.226611	0.0007665486	2
144	1	21	ARG	HD3	H	3.314314	0.001312062	2
145	1	21	ARG	HE	H	7.680100	0.001551816	1
146	1	21	ARG	HH11	H	7.150664	0.002209298	2
147	1	21	ARG	HH12	H	7.150664	0.002209298	2
148	1	22	PRO	HA	H	4.770101	0.001332031	1
149	1	22	PRO	HB2	H	1.790124	0.002004688	2
150	1	22	PRO	HB3	H	2.356694	0.003636928	2
151	1	22	PRO	HG2	H	1.999769	0.001801810	2
152	1	22	PRO	HG3	H	2.000272	0.001563293	2
153	1	22	PRO	HD2	H	3.675058	0.005000386	2
154	1	22	PRO	HD3	H	3.863038	0.0009670501	2
155	1	23	PRO	HA	H	2.480622	0.002164941	1
156	1	23	PRO	HB2	H	0.3008883	0.003105254	2
157	1	23	PRO	HB3	H	1.353138	0.004312804	2
158	1	23	PRO	HG2	H	1.644934	0.001019199	2
159	1	23	PRO	HG3	H	1.728174	0.001325153	2
160	1	23	PRO	HD2	H	3.519069	0.004952334	2
161	1	23	PRO	HD3	H	3.519069	0.004952334	2
162	1	24	PRO	HA	H	4.307454	0.0004890123	1
163	1	24	PRO	HB2	H	2.047365	0.002204234	2
164	1	24	PRO	HB3	H	2.226239	0.002528123	2
165	1	24	PRO	HG2	H	1.800155	0.002836499	2
166	1	24	PRO	HG3	H	1.953032	0.002981274	2
167	1	24	PRO	HD2	H	2.951340	0.001627228	2
168	1	24	PRO	HD3	H	3.115944	0.002059666	2
169	1	25	SER	H	H	7.735290	0.001027047	1
170	1	25	SER	HA	H	4.146448	0.001025304	1
171	1	25	SER	HB2	H	3.788642	0.0001853583	2
172	1	25	SER	HB3	H	3.788642	0.0001853583	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