BMRB: 34932

Trp-cage fortified Tc5b-Exenatide chimera (Ex4-Tc5bDR) at 277K

Authors

Horvath, D.

Assembly

polypeptide

Entity

1. polypeptide (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: 173 assignments Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	GLU	HA	H	4.010563	0.002010616	1
2	1	1	GLU	HB2	H	2.056081	0.001018718	2
3	1	1	GLU	HB3	H	2.056081	0.001018718	2
4	1	1	GLU	HG2	H	2.130000	0.0007768023	2
5	1	1	GLU	HG3	H	2.353609	0.001079733	2
6	1	2	GLU	HA	H	4.322196	0.001982558	1
7	1	2	GLU	HB2	H	2.012787	0.003488957	2
8	1	2	GLU	HB3	H	2.234357	0.001462996	2
9	1	2	GLU	HG2	H	2.368111	0.0001250167	2
10	1	2	GLU	HG3	H	2.404394	0.003570221	2
11	1	3	GLU	H	H	9.126130	0.0009679149	1
12	1	3	GLU	HA	H	4.188151	0.001759948	1
13	1	3	GLU	HB2	H	2.030115	0.003776563	2
14	1	3	GLU	HB3	H	2.126604	0.003642940	2
15	1	3	GLU	HG2	H	2.335928	0.004865217	2
16	1	3	GLU	HG3	H	2.352861	0.002938336	2
17	1	4	ALA	H	H	8.733694	0.0007338162	1
18	1	4	ALA	HA	H	4.104710	0.002921648	1
19	1	4	ALA	HB1	H	1.455079	0.002276064	1
20	1	4	ALA	HB2	H	1.455079	0.002276064	1
21	1	4	ALA	HB3	H	1.455079	0.002276064	1
22	1	5	VAL	H	H	7.430963	0.001378510	1
23	1	5	VAL	HA	H	3.839954	0.001637775	1
24	1	5	VAL	HB	H	2.218583	0.0009087089	1
25	1	5	VAL	HG11	H	1.037559	0.005828209	2
26	1	5	VAL	HG12	H	1.037559	0.005828209	2
27	1	5	VAL	HG13	H	1.037559	0.005828209	2
28	1	5	VAL	HG21	H	1.050976	0.003031054	2
29	1	5	VAL	HG22	H	1.050976	0.003031054	2
30	1	5	VAL	HG23	H	1.050976	0.003031054	2
31	1	6	ARG	H	H	8.022958	0.001684421	1
32	1	6	ARG	HA	H	4.006591	0.001296188	1
33	1	6	ARG	HB2	H	1.936524	0.002393992	2
34	1	6	ARG	HB3	H	2.010014	0.0004962087	2
35	1	6	ARG	HG2	H	1.570096	0.002670461	2
36	1	6	ARG	HG3	H	1.740432	0.005480749	2
37	1	6	ARG	HD2	H	3.186033	0.004444146	2
38	1	6	ARG	HD3	H	3.303782	0.001960350	2
39	1	6	ARG	HE	H	7.846250	0.0007601431	1
40	1	7	LEU	H	H	8.686064	0.001061185	1
41	1	7	LEU	HA	H	4.125008	0.002752588	1
42	1	7	LEU	HB2	H	1.370505	0.003674072	2
43	1	7	LEU	HB3	H	1.962267	0.003814618	2
44	1	7	LEU	HG	H	1.843116	0.003813448	1
45	1	7	LEU	HD11	H	0.9085568	0.001732349	2
46	1	7	LEU	HD12	H	0.9085568	0.001732349	2
47	1	7	LEU	HD13	H	0.9085568	0.001732349	2
48	1	7	LEU	HD21	H	0.9394826	0.001512042	2
49	1	7	LEU	HD22	H	0.9394826	0.001512042	2
50	1	7	LEU	HD23	H	0.9394826	0.001512042	2
51	1	8	TYR	H	H	8.252471	0.001515196	1
52	1	8	TYR	HA	H	4.105700	0.002749886	1
53	1	8	TYR	HB2	H	3.163237	0.002543815	2
54	1	8	TYR	HB3	H	3.279544	0.0008292459	2
55	1	8	TYR	HD1	H	7.016149	0.0006447628	3
56	1	8	TYR	HD2	H	7.016149	0.0006447628	3
57	1	8	TYR	HE1	H	6.812929	0.0007853818	3
58	1	8	TYR	HE2	H	6.812929	0.0007853818	3
59	1	9	ILE	H	H	8.637073	0.0009076697	1
60	1	9	ILE	HA	H	3.693114	0.001746096	1
61	1	9	ILE	HB	H	2.043765	0.003348480	1
62	1	9	ILE	HG12	H	1.364930	0.001174200	2
63	1	9	ILE	HG13	H	1.930719	0.002084368	2
64	1	9	ILE	HG21	H	0.9606426	0.001255461	1
65	1	9	ILE	HG22	H	0.9606426	0.001255461	1
66	1	9	ILE	HG23	H	0.9606426	0.001255461	1
67	1	9	ILE	HD11	H	0.9242382	0.002575739	1
68	1	9	ILE	HD12	H	0.9242382	0.002575739	1
69	1	9	ILE	HD13	H	0.9242382	0.002575739	1
70	1	10	GLN	H	H	8.032905	0.003210791	1
71	1	10	GLN	HA	H	3.913903	0.001498796	1
72	1	10	GLN	HB2	H	2.118177	0.0009839518	2
73	1	10	GLN	HB3	H	2.241412	0.003485342	2
74	1	10	GLN	HG2	H	2.360482	0.003640636	2
75	1	10	GLN	HG3	H	2.436355	0.003180842	2
76	1	10	GLN	HE21	H	7.110158	0.0007415316	2
77	1	10	GLN	HE22	H	7.943959	0.0009833865	2
78	1	11	TRP	H	H	8.079856	0.001851580	1
79	1	11	TRP	HA	H	4.246463	0.0007440231	1
80	1	11	TRP	HB2	H	3.152320	0.001812604	2
81	1	11	TRP	HB3	H	3.592121	0.001501269	2
82	1	11	TRP	HD1	H	6.978212	0.0003249552	1
83	1	11	TRP	HE1	H	9.707359	0.0006321710	1
84	1	11	TRP	HE3	H	7.011551	0.002021273	1
85	1	11	TRP	HZ2	H	7.177632	0.0006820151	1
86	1	11	TRP	HZ3	H	7.140089	0.001155409	1
87	1	11	TRP	HH2	H	7.217832	0.001108338	1
88	1	12	LEU	H	H	8.413586	0.001914140	1
89	1	12	LEU	HA	H	3.386236	0.002264669	1
90	1	12	LEU	HB2	H	1.312424	0.002485509	2
91	1	12	LEU	HB3	H	2.018714	0.002261139	2
92	1	12	LEU	HG	H	1.664730	0.002117121	1
93	1	12	LEU	HD11	H	0.8579579	0.001297993	2
94	1	12	LEU	HD12	H	0.8579579	0.001297993	2
95	1	12	LEU	HD13	H	0.8579579	0.001297993	2
96	1	12	LEU	HD21	H	0.9810607	0.003090678	2
97	1	12	LEU	HD22	H	0.9810607	0.003090678	2
98	1	12	LEU	HD23	H	0.9810607	0.003090678	2
99	1	13	LYS	H	H	8.393288	0.002003265	1
100	1	13	LYS	HA	H	3.914854	0.0005651151	1
101	1	13	LYS	HB2	H	1.943279	0.001772587	2
102	1	13	LYS	HB3	H	1.943279	0.001772587	2
103	1	13	LYS	HG2	H	1.432938	0.002591018	2
104	1	13	LYS	HG3	H	1.557315	0.003331569	2
105	1	13	LYS	HD2	H	1.638158	0.003599083	2
106	1	13	LYS	HD3	H	1.638158	0.003599083	2
107	1	13	LYS	HE2	H	2.931615	0.001726253	2
108	1	13	LYS	HE3	H	2.932431	0.002824665	2
109	1	14	ASP	H	H	8.061592	0.002392590	1
110	1	14	ASP	HA	H	4.504186	0.0003887207	1
111	1	14	ASP	HB2	H	2.745213	0.002226661	2
112	1	14	ASP	HB3	H	2.941125	0.001914977	2
113	1	15	GLY	H	H	7.554387	0.001335597	1
114	1	15	GLY	HA2	H	3.441961	0.0006208404	2
115	1	15	GLY	HA3	H	4.176395	0.002583850	2
116	1	16	GLY	H	H	8.559746	0.001336610	1
117	1	16	GLY	HA2	H	0.5749734	0.001571100	2
118	1	16	GLY	HA3	H	3.157323	0.002121979	2
119	1	17	PRO	HA	H	4.668393	0.001932407	1
120	1	17	PRO	HB2	H	2.081768	0.002413883	2
121	1	17	PRO	HB3	H	2.541244	0.001923453	2
122	1	17	PRO	HG2	H	2.185561	0.0008630994	2
123	1	17	PRO	HG3	H	2.185693	0.0008950791	2
124	1	17	PRO	HD2	H	3.516514	0.001629304	2
125	1	17	PRO	HD3	H	3.854654	0.003062513	2
126	1	18	SER	H	H	7.742507	0.001096082	1
127	1	18	SER	HA	H	4.502984	0.001177722	1
128	1	18	SER	HB2	H	3.921801	0.0007473336	2
129	1	18	SER	HB3	H	3.941761	0.01353706	2
130	1	19	SER	H	H	8.274765	0.001574590	1
131	1	19	SER	HA	H	4.118242	0.001690936	1
132	1	19	SER	HB2	H	3.447859	0.001448276	2
133	1	19	SER	HB3	H	3.837317	0.003881806	2
134	1	19	SER	HG	H	4.649572	0.002835579	1
135	1	20	GLY	H	H	8.016887	0.001782485	1
136	1	20	GLY	HA2	H	3.790656	0.002764772	2
137	1	20	GLY	HA3	H	4.311964	0.001077382	2
138	1	21	ARG	H	H	8.214294	0.002174639	1
139	1	21	ARG	HA	H	5.106333	0.001370654	1
140	1	21	ARG	HB2	H	1.835246	0.002329410	2
141	1	21	ARG	HB3	H	1.927703	0.001693702	2
142	1	21	ARG	HG2	H	1.655374	0.001707805	2
143	1	21	ARG	HG3	H	1.791810	0.001518962	2
144	1	21	ARG	HD2	H	3.220648	0.002471199	2
145	1	21	ARG	HD3	H	3.318462	0.002449864	2
146	1	21	ARG	HE	H	7.789132	0.001683810	1
147	1	21	ARG	HH11	H	7.215454	0.001040644	2
148	1	21	ARG	HH12	H	7.215454	0.001040644	2
149	1	22	PRO	HA	H	4.784679	0.0008752588	1
150	1	22	PRO	HB2	H	1.788443	0.002629056	2
151	1	22	PRO	HB3	H	2.367294	0.001322079	2
152	1	22	PRO	HG2	H	1.996749	0.003930126	2
153	1	22	PRO	HG3	H	1.997650	0.003620551	2
154	1	22	PRO	HD2	H	3.682437	0.001610635	2
155	1	22	PRO	HD3	H	3.868595	0.004264109	2
156	1	23	PRO	HA	H	2.397201	0.002128605	1
157	1	23	PRO	HB2	H	0.2227341	0.002791995	2
158	1	23	PRO	HB3	H	1.349374	0.003459595	2
159	1	23	PRO	HG2	H	1.659929	0.001174373	2
160	1	23	PRO	HG3	H	1.719415	0.003413051	2
161	1	23	PRO	HD2	H	3.526392	0.002258831	2
162	1	23	PRO	HD3	H	3.526392	0.002258831	2
163	1	24	PRO	HA	H	4.304807	0.002821443	1
164	1	24	PRO	HB2	H	2.073556	0.003021134	2
165	1	24	PRO	HB3	H	2.236617	0.001321668	2
166	1	24	PRO	HG2	H	1.796623	0.003649818	2
167	1	24	PRO	HG3	H	1.977244	0.002845129	2
168	1	24	PRO	HD2	H	2.947487	0.001903916	2
169	1	24	PRO	HD3	H	3.121665	0.005094148	2
170	1	25	SER	H	H	7.798687	0.001076859	1
171	1	25	SER	HA	H	4.137271	0.0004615041	1
172	1	25	SER	HB2	H	3.788752	0.001627884	2
173	1	25	SER	HB3	H	3.788752	0.001627884	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