BMRB: 34931

Trp-cage fortified Tc5b-Exenatide chimera (Ex4-Tc5bER) at 321K

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: 142 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	4.344065	0.002410305	1
2	1	2	GLU	HB2	H	2.121058	0	2
3	1	2	GLU	HB3	H	2.156383	0.004908656	2
4	1	2	GLU	HG2	H	2.333492	0.003043255	2
5	1	2	GLU	HG3	H	2.333492	0.003043255	2
6	1	3	GLU	HA	H	4.155496	0.001550333	1
7	1	3	GLU	HB2	H	2.049109	0.001981308	2
8	1	3	GLU	HB3	H	2.049109	0.001981308	2
9	1	3	GLU	HG2	H	2.307456	0.002880559	2
10	1	3	GLU	HG3	H	2.307677	0.003108871	2
11	1	4	ALA	H	H	8.371938	0	1
12	1	4	ALA	HA	H	4.152352	0.002700955	1
13	1	4	ALA	HB1	H	1.435801	0.001901366	1
14	1	4	ALA	HB2	H	1.435801	0.001901366	1
15	1	4	ALA	HB3	H	1.435801	0.001901366	1
16	1	5	VAL	H	H	7.553946	0.000000386	1
17	1	5	VAL	HA	H	3.935394	0.004571852	1
18	1	5	VAL	HB	H	2.172093	0	1
19	1	5	VAL	HG11	H	1.007281	0.004934875	2
20	1	5	VAL	HG12	H	1.007281	0.004934875	2
21	1	5	VAL	HG13	H	1.007281	0.004934875	2
22	1	5	VAL	HG21	H	1.007281	0.004934875	2
23	1	5	VAL	HG22	H	1.007281	0.004934875	2
24	1	5	VAL	HG23	H	1.007281	0.004934875	2
25	1	6	ARG	HA	H	4.156275	0.001582229	1
26	1	6	ARG	HB2	H	1.988439	0.0009748008	2
27	1	6	ARG	HB3	H	1.988439	0.0009748008	2
28	1	6	ARG	HG2	H	1.667292	0.001670066	2
29	1	6	ARG	HG3	H	1.779184	0.005038915	2
30	1	6	ARG	HD2	H	3.223107	0.005516498	2
31	1	6	ARG	HD3	H	3.224091	0.005495268	2
32	1	7	LEU	HA	H	4.155967	0.002496174	1
33	1	7	LEU	HB2	H	1.426933	0.002824524	2
34	1	7	LEU	HB3	H	1.899147	0.004176907	2
35	1	7	LEU	HG	H	1.715588	0.0006344721	1
36	1	7	LEU	HD11	H	0.8699160	0.002918232	2
37	1	7	LEU	HD12	H	0.8699160	0.002918232	2
38	1	7	LEU	HD13	H	0.8699160	0.002918232	2
39	1	7	LEU	HD21	H	0.9031449	0.001937909	2
40	1	7	LEU	HD22	H	0.9031449	0.001937909	2
41	1	7	LEU	HD23	H	0.9031449	0.001937909	2
42	1	8	TYR	HA	H	4.263984	0.001346977	1
43	1	8	TYR	HB2	H	3.143256	0.001071485	2
44	1	8	TYR	HB3	H	3.202567	0.004298152	2
45	1	8	TYR	HD1	H	7.043521	0.002700717	3
46	1	8	TYR	HD2	H	7.043521	0.002700717	3
47	1	8	TYR	HE1	H	6.820522	0.001663921	3
48	1	8	TYR	HE2	H	6.820522	0.001663921	3
49	1	9	ILE	H	H	8.180497	0.0008902814	1
50	1	9	ILE	HA	H	3.789557	0.001054335	1
51	1	9	ILE	HB	H	1.979381	0.000078	1
52	1	9	ILE	HG12	H	1.434917	0.0007226890	2
53	1	9	ILE	HG13	H	1.715944	0.005242471	2
54	1	9	ILE	HG21	H	0.8989290	0.002041460	1
55	1	9	ILE	HG22	H	0.8989290	0.002041460	1
56	1	9	ILE	HG23	H	0.8989290	0.002041460	1
57	1	9	ILE	HD11	H	0.8993697	0.002387610	1
58	1	9	ILE	HD12	H	0.8993697	0.002387610	1
59	1	9	ILE	HD13	H	0.8993697	0.002387610	1
60	1	10	GLN	HA	H	4.023702	0.001010472	1
61	1	10	GLN	HB2	H	2.053364	0.003119259	2
62	1	10	GLN	HB3	H	2.113924	0.002876460	2
63	1	10	GLN	HG2	H	2.366636	0.002051999	2
64	1	10	GLN	HG3	H	2.366636	0.002051999	2
65	1	10	GLN	HE21	H	6.729459	0	2
66	1	10	GLN	HE22	H	7.638242	0	2
67	1	11	TRP	HA	H	4.340294	0.0008257589	1
68	1	11	TRP	HB2	H	3.193519	0.006203259	2
69	1	11	TRP	HB3	H	3.511877	0.002575322	2
70	1	11	TRP	HD1	H	7.091643	0.001767571	1
71	1	11	TRP	HE1	H	9.728384	0	1
72	1	11	TRP	HE3	H	7.282458	0.0008200346	1
73	1	11	TRP	HZ2	H	7.205315	0	1
74	1	11	TRP	HZ3	H	7.090937	0.002095289	1
75	1	12	LEU	HA	H	3.607280	0.001421840	1
76	1	12	LEU	HD11	H	0.8165807	0.003462745	2
77	1	12	LEU	HD12	H	0.8165807	0.003462745	2
78	1	12	LEU	HD13	H	0.8165807	0.003462745	2
79	1	12	LEU	HD21	H	0.8888439	0.002505655	2
80	1	12	LEU	HD22	H	0.8888439	0.002505655	2
81	1	12	LEU	HD23	H	0.8888439	0.002505655	2
82	1	13	LYS	H	H	8.174836	0.002604872	1
83	1	13	LYS	HA	H	4.036381	0.0006727431	1
84	1	13	LYS	HB2	H	1.904415	0.003847588	2
85	1	13	LYS	HB3	H	1.904902	0.003677217	2
86	1	13	LYS	HG2	H	1.430688	0.002292267	2
87	1	13	LYS	HG3	H	1.566075	0.01009901	2
88	1	13	LYS	HD2	H	1.659897	0.001107940	2
89	1	13	LYS	HD3	H	1.659897	0.001107940	2
90	1	13	LYS	HE2	H	2.963486	0.001425507	2
91	1	14	GLU	HA	H	4.231261	0.001422112	1
92	1	14	GLU	HB2	H	1.976276	0	2
93	1	14	GLU	HB3	H	2.174278	0.001750455	2
94	1	14	GLU	HG2	H	2.266409	0.002253980	2
95	1	14	GLU	HG3	H	2.425930	0.002173369	2
96	1	15	GLY	HA2	H	3.617603	0	2
97	1	15	GLY	HA3	H	4.087653	0	2
98	1	16	GLY	HA2	H	2.069739	0	2
99	1	16	GLY	HA3	H	3.303105	0.005081759	2
100	1	17	PRO	HA	H	4.509933	0.001007316	1
101	1	17	PRO	HB2	H	1.992483	0.0007418260	2
102	1	17	PRO	HB3	H	2.418639	0.0006913381	2
103	1	17	PRO	HG2	H	2.059076	0.007278474	2
104	1	17	PRO	HG3	H	2.059422	0.007019443	2
105	1	17	PRO	HD2	H	3.309596	0.0003407470	2
106	1	17	PRO	HD3	H	3.674733	0.001133865	2
107	1	18	SER	HA	H	4.453226	0	1
108	1	18	SER	HB2	H	3.904175	0	2
109	1	18	SER	HB3	H	3.904175	0	2
110	1	20	GLY	HA2	H	3.863288	0	2
111	1	20	GLY	HA3	H	4.141473	0	2
112	1	21	ARG	HA	H	4.816377	0.001605354	1
113	1	21	ARG	HB2	H	1.877459	0.003443496	2
114	1	21	ARG	HB3	H	1.990372	0	2
115	1	21	ARG	HG2	H	1.702552	0.003032005	2
116	1	21	ARG	HG3	H	1.799671	0.001735997	2
117	1	21	ARG	HD2	H	3.234173	0.002125034	2
118	1	21	ARG	HD3	H	3.234173	0.002125034	2
119	1	22	PRO	HA	H	4.695707	0.0008748196	1
120	1	22	PRO	HB2	H	1.856435	0.009521200	2
121	1	22	PRO	HB3	H	2.298991	0.002313856	2
122	1	22	PRO	HG2	H	1.998863	0.001269439	2
123	1	22	PRO	HG3	H	1.998863	0.001269439	2
124	1	22	PRO	HD2	H	3.622101	0.001760557	2
125	1	22	PRO	HD3	H	3.829788	0.003659018	2
126	1	23	PRO	HA	H	3.334085	0.007255724	1
127	1	23	PRO	HB2	H	1.168652	0.001761001	2
128	1	23	PRO	HB3	H	1.573453	0.001348431	2
129	1	23	PRO	HG2	H	1.747105	0.006293938	2
130	1	23	PRO	HG3	H	1.841144	0.001198788	2
131	1	23	PRO	HD2	H	3.511548	0.002401020	2
132	1	23	PRO	HD3	H	3.592172	0.005964551	2
133	1	24	PRO	HA	H	4.340611	0.002859794	1
134	1	24	PRO	HB2	H	2.215636	0.006253144	2
135	1	24	PRO	HG2	H	1.865031	0.002975403	2
136	1	24	PRO	HG3	H	1.971930	0.004796544	2
137	1	24	PRO	HD2	H	3.172509	0.001505389	2
138	1	24	PRO	HD3	H	3.314428	0.0007306180	2
139	1	25	SER	H	H	7.601715	0.001045247	1
140	1	25	SER	HA	H	4.172172	0.004105705	1
141	1	25	SER	HB2	H	3.786262	0.0006621120	2
142	1	25	SER	HB3	H	3.786262	0.0006621120	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