BMRB: 34950

Trp-cage fortified Tc5b-Exenatide chimera (Ex-4-Tc5bQR) at 277K

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	2	GLU	HA	H	4.335226	0.002308737	1
2	1	3	GLU	H	H	9.120163	0.001603965	1
3	1	3	GLU	HA	H	4.208284	0.004366796	1
4	1	3	GLU	HB2	H	2.018949	0.006642945	2
5	1	3	GLU	HB3	H	2.124909	0.008253567	2
6	1	3	GLU	HG2	H	2.329343	0.001872578	2
7	1	3	GLU	HG3	H	2.356483	0.001435733	2
8	1	4	ALA	H	H	8.764041	0.002463470	1
9	1	4	ALA	HA	H	4.093769	0.01866719	1
10	1	4	ALA	HB1	H	1.446064	0.002925179	1
11	1	4	ALA	HB2	H	1.446064	0.002925179	1
12	1	4	ALA	HB3	H	1.446064	0.002925179	1
13	1	5	VAL	H	H	7.419629	0.004271321	1
14	1	5	VAL	HA	H	3.855396	0.001290710	1
15	1	5	VAL	HB	H	2.221633	0.01151986	1
16	1	5	VAL	HG11	H	1.038766	0.003038634	2
17	1	5	VAL	HG12	H	1.038766	0.003038634	2
18	1	5	VAL	HG13	H	1.038766	0.003038634	2
19	1	5	VAL	HG21	H	1.038766	0.003038634	2
20	1	5	VAL	HG22	H	1.038766	0.003038634	2
21	1	5	VAL	HG23	H	1.038766	0.003038634	2
22	1	6	ARG	H	H	8.041171	0.001229228	1
23	1	6	ARG	HA	H	4.023595	0.003811444	1
24	1	6	ARG	HB2	H	1.897923	0.001100102	2
25	1	6	ARG	HB3	H	2.009951	0.002537809	2
26	1	6	ARG	HG2	H	1.517454	0.001520600	2
27	1	6	ARG	HG3	H	1.719022	0.001246909	2
28	1	6	ARG	HD2	H	3.162456	0.001944720	2
29	1	6	ARG	HD3	H	3.316326	0.001178627	2
30	1	6	ARG	HE	H	7.898919	0.001910775	1
31	1	6	ARG	HH11	H	6.975683	0.003866093	2
32	1	6	ARG	HH12	H	6.975683	0.003866093	2
33	1	7	LEU	H	H	8.654599	0.002293197	1
34	1	7	LEU	HA	H	4.110013	0.001149213	1
35	1	7	LEU	HB2	H	1.392211	0.001071459	2
36	1	7	LEU	HB3	H	1.922698	0.001886528	2
37	1	7	LEU	HG	H	1.831389	0.003102183	1
38	1	7	LEU	HD11	H	0.8829398	0.001924382	2
39	1	7	LEU	HD12	H	0.8829398	0.001924382	2
40	1	7	LEU	HD13	H	0.8829398	0.001924382	2
41	1	7	LEU	HD21	H	0.9331909	0.004475541	2
42	1	7	LEU	HD22	H	0.9331909	0.004475541	2
43	1	7	LEU	HD23	H	0.9331909	0.004475541	2
44	1	8	TYR	H	H	8.198511	0.001791961	1
45	1	8	TYR	HA	H	4.180377	0.004489096	1
46	1	8	TYR	HB2	H	3.201791	0.001049232	2
47	1	8	TYR	HB3	H	3.291981	0.001618705	2
48	1	8	TYR	HD1	H	7.075986	0.002653308	3
49	1	8	TYR	HD2	H	7.075986	0.002653308	3
50	1	8	TYR	HE1	H	6.843320	0.002269942	3
51	1	8	TYR	HE2	H	6.843320	0.002269942	3
52	1	9	ILE	H	H	8.628285	0.002345698	1
53	1	9	ILE	HA	H	3.712189	0.002886867	1
54	1	9	ILE	HB	H	2.053986	0.0009765726	1
55	1	9	ILE	HG12	H	1.382724	0.0001889330	2
56	1	9	ILE	HG13	H	1.915139	0.001874390	2
57	1	9	ILE	HG21	H	0.9761018	0.004133219	1
58	1	9	ILE	HG22	H	0.9761018	0.004133219	1
59	1	9	ILE	HG23	H	0.9761018	0.004133219	1
60	1	9	ILE	HD11	H	0.9280750	0.0007154304	1
61	1	9	ILE	HD12	H	0.9280750	0.0007154304	1
62	1	9	ILE	HD13	H	0.9280750	0.0007154304	1
63	1	10	GLN	H	H	8.043987	0.001393766	1
64	1	10	GLN	HA	H	4.065070	0.001976016	1
65	1	10	GLN	HB2	H	2.189165	0.004566833	2
66	1	10	GLN	HB3	H	2.189165	0.004566833	2
67	1	10	GLN	HG2	H	2.357714	0.008365705	2
68	1	10	GLN	HG3	H	2.430221	0.002438194	2
69	1	10	GLN	HE21	H	7.077432	0.001432433	2
70	1	10	GLN	HE22	H	7.709759	0.0006997109	2
71	1	11	TRP	H	H	8.078338	0.0007322956	1
72	1	11	TRP	HA	H	4.299518	0.002150989	1
73	1	11	TRP	HB2	H	3.197730	0.005568404	2
74	1	11	TRP	HB3	H	3.603112	0.002379020	2
75	1	11	TRP	HD1	H	7.083029	0.003696906	1
76	1	11	TRP	HE1	H	9.672367	0.002582021	1
77	1	11	TRP	HE3	H	7.133320	0.001461010	1
78	1	11	TRP	HZ2	H	7.234889	0.002340086	1
79	1	11	TRP	HZ3	H	7.088961	0.0007333460	1
80	1	11	TRP	HH2	H	7.221921	0.007280134	1
81	1	12	LEU	H	H	8.611308	0.0008732397	1
82	1	12	LEU	HA	H	3.357662	0.0009160957	1
83	1	12	LEU	HB2	H	1.382878	0.002540281	2
84	1	12	LEU	HB3	H	1.948528	0.002696736	2
85	1	12	LEU	HG	H	1.602842	0.003824162	1
86	1	12	LEU	HD11	H	0.8372963	0.001753557	2
87	1	12	LEU	HD12	H	0.8372963	0.001753557	2
88	1	12	LEU	HD13	H	0.8372963	0.001753557	2
89	1	12	LEU	HD21	H	0.9476965	0.001975803	2
90	1	12	LEU	HD22	H	0.9476965	0.001975803	2
91	1	12	LEU	HD23	H	0.9476965	0.001975803	2
92	1	13	LYS	H	H	8.413457	0.002255355	1
93	1	13	LYS	HA	H	4.004867	0.0006440583	1
94	1	13	LYS	HB2	H	1.958556	0.0009535063	2
95	1	13	LYS	HB3	H	1.959188	0.0005072749	2
96	1	13	LYS	HG2	H	1.444223	0.002595178	2
97	1	13	LYS	HG3	H	1.444223	0.002595178	2
98	1	13	LYS	HD2	H	1.664783	0.002003809	2
99	1	13	LYS	HD3	H	1.664783	0.002003809	2
100	1	13	LYS	HE2	H	2.941770	0.001192894	2
101	1	13	LYS	HE3	H	2.941770	0.001192894	2
102	1	14	GLN	H	H	7.633443	0.001145698	1
103	1	14	GLN	HA	H	4.297376	0.0009127644	1
104	1	14	GLN	HB2	H	2.180325	0.001280194	2
105	1	14	GLN	HB3	H	2.180605	0.001132932	2
106	1	14	GLN	HG2	H	2.415198	0.004976149	2
107	1	14	GLN	HG3	H	2.608067	0.002690099	2
108	1	14	GLN	HE21	H	6.884845	0.001844815	2
109	1	14	GLN	HE22	H	7.544501	0.0008948168	2
110	1	15	GLY	H	H	7.579420	0.002654430	1
111	1	15	GLY	HA2	H	3.497044	0.0009497778	2
112	1	15	GLY	HA3	H	4.178976	0.0007158486	2
113	1	16	GLY	H	H	8.113345	0.002431965	1
114	1	16	GLY	HA2	H	1.136881	0.003948937	2
115	1	16	GLY	HA3	H	3.116683	0.003152320	2
116	1	17	PRO	HA	H	4.615463	0.002262476	1
117	1	17	PRO	HB2	H	2.071668	0.002264121	2
118	1	17	PRO	HB3	H	2.510204	0.002890779	2
119	1	17	PRO	HG2	H	2.159026	0.004360079	2
120	1	17	PRO	HG3	H	2.159026	0.004360079	2
121	1	17	PRO	HD2	H	3.365902	0.001084555	2
122	1	17	PRO	HD3	H	3.784919	0.002036606	2
123	1	18	SER	H	H	7.958126	0.001214392	1
124	1	18	SER	HA	H	4.453722	0.0007356442	1
125	1	18	SER	HB2	H	3.933121	0.002920768	2
126	1	18	SER	HB3	H	3.933121	0.002920768	2
127	1	19	SER	H	H	8.153873	0.002011725	1
128	1	19	SER	HA	H	4.265083	0.0003756927	1
129	1	19	SER	HB2	H	3.606162	0.003549058	2
130	1	19	SER	HB3	H	3.606195	0.003240663	2
131	1	19	SER	HG	H	5.413546	0.002347932	1
132	1	20	GLY	H	H	8.074279	0.001372320	1
133	1	20	GLY	HA2	H	3.855754	0.001425511	2
134	1	20	GLY	HA3	H	4.215696	0.002379585	2
135	1	21	ARG	H	H	8.044092	0.002402269	1
136	1	21	ARG	HA	H	4.875710	0.0009547087	1
137	1	21	ARG	HB2	H	1.790234	0.003514869	2
138	1	21	ARG	HB3	H	1.942289	0.003033909	2
139	1	21	ARG	HG2	H	1.666593	0.001517994	2
140	1	21	ARG	HG3	H	1.711137	0.001260044	2
141	1	21	ARG	HD2	H	3.249142	0.005919278	2
142	1	21	ARG	HD3	H	3.249359	0.005566869	2
143	1	21	ARG	HE	H	7.403429	0.0006748702	1
144	1	22	PRO	HA	H	4.705145	0.001871285	1
145	1	22	PRO	HB2	H	2.005951	0.002360277	2
146	1	22	PRO	HB3	H	2.290888	0.002414603	2
147	1	22	PRO	HG2	H	1.799933	0.002094261	2
148	1	22	PRO	HG3	H	1.799933	0.002094261	2
149	1	22	PRO	HD2	H	3.658103	0.001125575	2
150	1	22	PRO	HD3	H	3.866490	0.003812789	2
151	1	23	PRO	HA	H	2.712676	0.005949043	1
152	1	23	PRO	HB2	H	0.5994937	0.002772625	2
153	1	23	PRO	HB3	H	1.439393	0.003203215	2
154	1	23	PRO	HG2	H	1.672582	0.004774894	2
155	1	23	PRO	HG3	H	1.743571	0.001852136	2
156	1	23	PRO	HD2	H	3.506769	0.002544484	2
157	1	23	PRO	HD3	H	3.506769	0.002544484	2
158	1	24	PRO	HA	H	4.296146	0.001991284	1
159	1	24	PRO	HB2	H	2.019188	0.003923285	2
160	1	24	PRO	HB3	H	2.236708	0.008012398	2
161	1	24	PRO	HG2	H	1.836325	0.001461554	2
162	1	24	PRO	HG3	H	1.958159	0.002633438	2
163	1	24	PRO	HD2	H	3.056458	0.003024257	2
164	1	24	PRO	HD3	H	3.162029	0.0009318356	2
165	1	25	SER	H	H	7.868529	0.0009143394	1
166	1	25	SER	HA	H	4.160052	0.01067071	1
167	1	25	SER	HB2	H	3.792788	0.001306053	2
168	1	25	SER	HB3	H	3.792788	0.001306053	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