BMRB: 31119

Solution conformations of a 12-mer peptide bearing a natural N-hydrophobic triangle

Authors

Mi, T.X., Burgess, K.

Assembly

ACE-LEU-ASP-ALA-ALA-LEU-LEU-ALA-ALA-ALA-LYS-ALA-TRP-NH2 peptide

Entity

1. ACE-LEU-ASP-ALA-ALA-LEU-LEU-ALA-ALA-ALA-LYS-ALA-TRP-NH2 peptide (polymer, Thiol state: not present), 14 monomers, 1237.469 Da Detail

XLDAALLAAA KAWX

Formula weight

1237.469 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 93 assignments Detail

Download

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• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	ACE	H1	H	2.01		1
2	1	2	LEU	H	H	8.00		1
3	1	2	LEU	HA	H	4.16		1
4	1	2	LEU	HB2	H	1.55
5	1	2	LEU	HB3	H	1.55
6	1	2	LEU	HG	H	1.55		1
7	1	2	LEU	HD11	H	0.86
8	1	2	LEU	HD12	H	0.86
9	1	2	LEU	HD13	H	0.86
10	1	2	LEU	HD21	H	0.86
11	1	2	LEU	HD22	H	0.86
12	1	2	LEU	HD23	H	0.86
13	1	3	ASP	H	H	8.07		1
14	1	3	ASP	HA	H	4.51		1
15	1	3	ASP	HB2	H	2.86
16	1	3	ASP	HB3	H	2.86
17	1	4	ALA	H	H	8.05		1
18	1	4	ALA	HA	H	4.00		1
19	1	4	ALA	HB1	H	1.42		1
20	1	4	ALA	HB2	H	1.42		1
21	1	4	ALA	HB3	H	1.42		1
22	1	5	ALA	H	H	7.94		1
23	1	5	ALA	HA	H	4.10		1
24	1	5	ALA	HB1	H	1.43		1
25	1	5	ALA	HB2	H	1.43		1
26	1	5	ALA	HB3	H	1.43		1
27	1	6	LEU	H	H	7.78		1
28	1	6	LEU	HA	H	4.10		1
29	1	6	LEU	HB2	H	1.73
30	1	6	LEU	HB3	H	1.73
31	1	6	LEU	HG	H	1.58		1
32	1	6	LEU	HD11	H	0.88
33	1	6	LEU	HD12	H	0.88
34	1	6	LEU	HD13	H	0.88
35	1	6	LEU	HD21	H	0.88
36	1	6	LEU	HD22	H	0.88
37	1	6	LEU	HD23	H	0.88
38	1	7	LEU	H	H	7.75		1
39	1	7	LEU	HA	H	4.03		1
40	1	7	LEU	HB2	H	1.69
41	1	7	LEU	HB3	H	1.69
42	1	7	LEU	HG	H	1.53		1
43	1	7	LEU	HD11	H	0.83
44	1	7	LEU	HD12	H	0.83
45	1	7	LEU	HD13	H	0.83
46	1	7	LEU	HD21	H	0.83
47	1	7	LEU	HD22	H	0.83
48	1	7	LEU	HD23	H	0.83
49	1	8	ALA	H	H	7.83		1
50	1	8	ALA	HA	H	4.03		1
51	1	8	ALA	HB1	H	1.43		1
52	1	8	ALA	HB2	H	1.43		1
53	1	8	ALA	HB3	H	1.43		1
54	1	9	ALA	H	H	7.77		1
55	1	9	ALA	HA	H	4.05		1
56	1	9	ALA	HB1	H	1.40		1
57	1	9	ALA	HB2	H	1.40		1
58	1	9	ALA	HB3	H	1.40		1
59	1	10	ALA	H	H	7.96		1
60	1	10	ALA	HA	H	3.90		1
61	1	10	ALA	HB1	H	1.38		1
62	1	10	ALA	HB2	H	1.38		1
63	1	10	ALA	HB3	H	1.38		1
64	1	11	LYS	H	H	7.76		1
65	1	11	LYS	HA	H	4.03		1
66	1	11	LYS	HB2	H	1.77
67	1	11	LYS	HB3	H	1.77
68	1	11	LYS	HG2	H	1.37
69	1	11	LYS	HG3	H	1.45
70	1	11	LYS	HD2	H	1.60
71	1	11	LYS	HD3	H	1.60
72	1	11	LYS	HE2	H	2.90
73	1	11	LYS	HE3	H	2.90
74	1	11	LYS	HZ1	H	7.50		1
75	1	11	LYS	HZ2	H	7.50		1
76	1	11	LYS	HZ3	H	7.50		1
77	1	12	ALA	H	H	7.67		1
78	1	12	ALA	HA	H	4.14		1
79	1	12	ALA	HB1	H	1.25		1
80	1	12	ALA	HB2	H	1.25		1
81	1	12	ALA	HB3	H	1.25		1
82	1	13	TRP	H	H	7.76		1
83	1	13	TRP	HA	H	4.59		1
84	1	13	TRP	HB2	H	3.22
85	1	13	TRP	HB3	H	3.32
86	1	13	TRP	HD1	H	7.17		1
87	1	13	TRP	HE1	H	9.84		1
88	1	13	TRP	HE3	H	7.61		1
89	1	13	TRP	HZ2	H	7.40		1
90	1	13	TRP	HZ3	H	7.07		1
91	1	13	TRP	HH2	H	7.15		1
92	1	14	NH2	HN1	H	6.92		1
93	1	14	NH2	HN2	H	7.20		1

Release date

2023-11-19

Citation

Bioinformatics leading to conveniently accessible, helix enforcing, bicyclic ASX motif mimics (BAMMs)
Mi, T., Nguyen, D., Gao, Z., Burgess, K.
Nat. Commun. (2024), 15, 4217-4217, PubMed , DOI:

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail