BMRB: 34928

Trp-cage fortified Tc5b-Exenatide chimera (Ex4-Tc5bER) at 299K

Authors

Horvath, D.

Assembly

miniprotein

Entity

1. miniprotein (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: 170 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	4.032464	0.0004016152	1
2	1	1	GLU	HB2	H	2.354681	0.008337058	2
3	1	1	GLU	HB3	H	2.354681	0.008337058	2
4	1	1	GLU	HG2	H	2.057288	0.003359319	2
5	1	1	GLU	HG3	H	2.057288	0.003359319	2
6	1	2	GLU	HA	H	4.334942	0.0008938274	1
7	1	2	GLU	HB2	H	2.011918	0.004913325	2
8	1	2	GLU	HB3	H	2.202267	0.007631245	2
9	1	2	GLU	HG2	H	2.364635	0.003168728	2
10	1	2	GLU	HG3	H	2.365867	0.002229361	2
11	1	3	GLU	H	H	8.949305	0.0005713028	1
12	1	3	GLU	HA	H	4.149469	0.002587194	1
13	1	3	GLU	HB2	H	2.042443	0.004329152	2
14	1	3	GLU	HB3	H	2.093146	0.004223501	2
15	1	3	GLU	HG2	H	2.320363	0.002728011	2
16	1	3	GLU	HG3	H	2.320363	0.002728011	2
17	1	4	ALA	H	H	8.575624	0.0007708446	1
18	1	4	ALA	HA	H	4.109138	0.003022809	1
19	1	4	ALA	HB1	H	1.444605	0.002625755	1
20	1	4	ALA	HB2	H	1.444605	0.002625755	1
21	1	4	ALA	HB3	H	1.444605	0.002625755	1
22	1	5	VAL	H	H	7.474633	0.0007068044	1
23	1	5	VAL	HA	H	3.880452	0.003008683	1
24	1	5	VAL	HB	H	2.202703	0.002287828	1
25	1	5	VAL	HG11	H	1.027562	0.005604056	2
26	1	5	VAL	HG12	H	1.027562	0.005604056	2
27	1	5	VAL	HG13	H	1.027562	0.005604056	2
28	1	5	VAL	HG21	H	1.039882	0.004372870	2
29	1	5	VAL	HG22	H	1.039882	0.004372870	2
30	1	5	VAL	HG23	H	1.039882	0.004372870	2
31	1	6	ARG	H	H	7.941954	0.0008027512	1
32	1	6	ARG	HA	H	4.048076	0.002210594	1
33	1	6	ARG	HB2	H	1.919977	0.0006536942	2
34	1	6	ARG	HB3	H	1.972256	0.001758720	2
35	1	6	ARG	HG2	H	1.583326	0.002128086	2
36	1	6	ARG	HG3	H	1.729505	0.001471050	2
37	1	6	ARG	HD2	H	3.204795	0.001019897	2
38	1	6	ARG	HD3	H	3.279924	0.002505994	2
39	1	7	LEU	H	H	8.444334	0.0008484698	1
40	1	7	LEU	HA	H	4.135999	0.002543184	1
41	1	7	LEU	HB2	H	1.398062	0.002923097	2
42	1	7	LEU	HB3	H	1.889605	0.001995133	2
43	1	7	LEU	HG	H	1.814213	0.0007838742	1
44	1	7	LEU	HD11	H	0.8838556	0.001612441	2
45	1	7	LEU	HD12	H	0.8838556	0.001612441	2
46	1	7	LEU	HD13	H	0.8838556	0.001612441	2
47	1	7	LEU	HD21	H	0.9160514	0.004138330	2
48	1	7	LEU	HD22	H	0.9160514	0.004138330	2
49	1	7	LEU	HD23	H	0.9160514	0.004138330	2
50	1	8	TYR	H	H	8.138636	0.0006267456	1
51	1	8	TYR	HA	H	4.154562	0.002885449	1
52	1	8	TYR	HB2	H	3.171005	0.002701910	2
53	1	8	TYR	HB3	H	3.244258	0.002592802	2
54	1	8	TYR	HD1	H	7.017636	0.001463228	3
55	1	8	TYR	HD2	H	7.017636	0.001463228	3
56	1	8	TYR	HE1	H	6.811576	0.001497258	3
57	1	8	TYR	HE2	H	6.811576	0.001497258	3
58	1	9	ILE	H	H	8.474815	0.0006454092	1
59	1	9	ILE	HA	H	3.719064	0.002463221	1
60	1	9	ILE	HB	H	2.035531	0.003180482	1
61	1	9	ILE	HG12	H	1.377329	0.002725806	2
62	1	9	ILE	HG13	H	1.854758	0.003479510	2
63	1	9	ILE	HG21	H	0.9556669	0.002022052	1
64	1	9	ILE	HG22	H	0.9556669	0.002022052	1
65	1	9	ILE	HG23	H	0.9556669	0.002022052	1
66	1	9	ILE	HD11	H	0.9171444	0.001948679	1
67	1	9	ILE	HD12	H	0.9171444	0.001948679	1
68	1	9	ILE	HD13	H	0.9171444	0.001948679	1
69	1	10	GLN	H	H	7.960916	0.001265980	1
70	1	10	GLN	HA	H	4.018494	0.004259385	1
71	1	10	GLN	HB2	H	2.129745	0.004276190	2
72	1	10	GLN	HB3	H	2.198641	0.001352688	2
73	1	10	GLN	HG2	H	2.407188	0.001978772	2
74	1	10	GLN	HG3	H	2.407188	0.001978772	2
75	1	10	GLN	HE21	H	6.848778	0.0009025647	2
76	1	10	GLN	HE22	H	7.954582	0.0008262430	2
77	1	11	TRP	H	H	7.963471	0.001636118	1
78	1	11	TRP	HA	H	4.222681	0.0009215639	1
79	1	11	TRP	HB2	H	3.159095	0.002424472	2
80	1	11	TRP	HB3	H	3.568987	0.005808779	2
81	1	11	TRP	HD1	H	7.022357	0.001124304	1
82	1	11	TRP	HE1	H	9.653362	0.0009153177	1
83	1	11	TRP	HE3	H	7.109445	0.001840176	1
84	1	11	TRP	HZ2	H	7.220568	0.0009647907	1
85	1	11	TRP	HZ3	H	7.104418	0.006193923	1
86	1	11	TRP	HH2	H	7.202201	0.002773117	1
87	1	12	LEU	H	H	8.426497	0.0004822888	1
88	1	12	LEU	HA	H	3.400803	0.002023753	1
89	1	12	LEU	HB2	H	1.363340	0.001415122	2
90	1	12	LEU	HB3	H	1.926747	0.001254708	2
91	1	12	LEU	HG	H	1.614779	0.002687781	1
92	1	12	LEU	HD11	H	0.8185012	0.002116440	2
93	1	12	LEU	HD12	H	0.8185012	0.002116440	2
94	1	12	LEU	HD13	H	0.8185012	0.002116440	2
95	1	12	LEU	HD21	H	0.9170504	0.004506979	2
96	1	12	LEU	HD22	H	0.9170504	0.004506979	2
97	1	12	LEU	HD23	H	0.9170504	0.004506979	2
98	1	13	LYS	H	H	8.322099	0.001141670	1
99	1	13	LYS	HA	H	3.974588	0.001075262	1
100	1	13	LYS	HB2	H	1.959335	0.004174731	2
101	1	13	LYS	HB3	H	1.959858	0.004237055	2
102	1	13	LYS	HG2	H	1.428408	0.006671463	2
103	1	13	LYS	HG3	H	1.583547	0.001088811	2
104	1	13	LYS	HD2	H	1.658213	0.003559225	2
105	1	13	LYS	HD3	H	1.660665	0.004532227	2
106	1	13	LYS	HE2	H	2.946132	0.001681078	2
107	1	13	LYS	HE3	H	2.946132	0.001681078	2
108	1	14	GLU	H	H	7.675825	0.001358447	1
109	1	14	GLU	HA	H	4.175443	0.0008148018	1
110	1	14	GLU	HB2	H	1.972308	0.002776518	2
111	1	14	GLU	HB3	H	2.208107	0.001872750	2
112	1	14	GLU	HG2	H	2.266286	0.007419725	2
113	1	14	GLU	HG3	H	2.514825	0.002076903	2
114	1	15	GLY	H	H	7.560718	0.001434918	1
115	1	15	GLY	HA2	H	3.505543	0.0009965587	2
116	1	15	GLY	HA3	H	4.144821	0.001223973	2
117	1	16	GLY	H	H	8.217661	0.0005390450	1
118	1	16	GLY	HA2	H	1.216779	0.003025352	2
119	1	16	GLY	HA3	H	3.086227	0.001154230	2
120	1	17	PRO	HA	H	4.569089	0.001805548	1
121	1	17	PRO	HB2	H	2.042142	0.002501127	2
122	1	17	PRO	HB3	H	2.489575	0.001309494	2
123	1	17	PRO	HG2	H	2.119317	0.002317925	2
124	1	17	PRO	HG3	H	2.119317	0.002317925	2
125	1	17	PRO	HD2	H	3.328428	0.001867214	2
126	1	17	PRO	HD3	H	3.751278	0.001864556	2
127	1	18	SER	H	H	7.783182	0	1
128	1	18	SER	HA	H	4.449965	0	1
129	1	18	SER	HB2	H	3.920359	0.001088623	2
130	1	18	SER	HB3	H	3.920359	0.001088623	2
131	1	19	SER	H	H	8.144288	0.002400153	1
132	1	19	SER	HA	H	4.233687	0.001106436	1
133	1	19	SER	HB2	H	3.597385	0.002597548	2
134	1	19	SER	HB3	H	3.919710	0.001614695	2
135	1	20	GLY	H	H	7.959911	0.003483126	1
136	1	20	GLY	HA2	H	3.832345	0.001368358	2
137	1	20	GLY	HA3	H	4.226895	0.002695851	2
138	1	21	ARG	H	H	8.058868	0.001491213	1
139	1	21	ARG	HA	H	4.926306	0.002127264	1
140	1	21	ARG	HB2	H	1.836773	0.003979219	2
141	1	21	ARG	HB3	H	1.866511	0.01194232	2
142	1	21	ARG	HG2	H	1.660339	0.002818808	2
143	1	21	ARG	HG3	H	1.751429	0.001805011	2
144	1	21	ARG	HD2	H	3.259424	0.0004517060	2
145	1	21	ARG	HD3	H	3.259424	0.0004517060	2
146	1	22	PRO	HA	H	4.725964	0.001338547	1
147	1	22	PRO	HB2	H	1.804255	0.004627210	2
148	1	22	PRO	HB3	H	2.314233	0.002665432	2
149	1	22	PRO	HG2	H	1.997334	0.002308336	2
150	1	22	PRO	HG3	H	1.997334	0.002308336	2
151	1	22	PRO	HD2	H	3.652317	0.003160731	2
152	1	22	PRO	HD3	H	3.854687	0.001534885	2
153	1	23	PRO	HA	H	2.741763	0.002134238	1
154	1	23	PRO	HB2	H	0.6260253	0.004498467	2
155	1	23	PRO	HB3	H	1.419468	0.003481232	2
156	1	23	PRO	HG2	H	1.663248	0.002372675	2
157	1	23	PRO	HG3	H	1.755527	0.001021125	2
158	1	23	PRO	HD2	H	3.511498	0.006072551	2
159	1	23	PRO	HD3	H	3.511719	0.006362924	2
160	1	24	PRO	HA	H	4.300895	0.001806869	1
161	1	24	PRO	HB2	H	1.986619	0.003752986	2
162	1	24	PRO	HB3	H	2.210254	0.003117568	2
163	1	24	PRO	HG2	H	1.822375	0.002127923	2
164	1	24	PRO	HG3	H	1.919133	0.002771677	2
165	1	24	PRO	HD2	H	2.995895	0.001136597	2
166	1	24	PRO	HD3	H	3.112704	0.002195809	2
167	1	25	SER	H	H	7.687906	0.002771813	1
168	1	25	SER	HA	H	4.159116	0.003855053	1
169	1	25	SER	HB2	H	3.780480	0.0007471342	2
170	1	25	SER	HB3	H	3.780480	0.0007471342	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