BMRB: 31123

Solution structure of a 12-mer peptide bearing a bicyclic Asx motif mimic (BAMM) as a synthetic N-cap

Authors

Mi, T.X., Burgess, K.

Assembly

TRP-CYS-ASP-ALA-ALA-CYS-CYS-ALA-ALA-ALA-LYS-ALA-NH2 peptide

Entity

1. TRP-CYS-ASP-ALA-ALA-CYS-CYS-ALA-ALA-ALA-LYS-ALA-NH2 peptide, entity 1 (polymer), 13 monomers, 1181.387 Da Detail

WCDAACCAAA KAX

2. TRP-CYS-ASP-ALA-ALA-CYS-CYS-ALA-ALA-ALA-LYS-ALA-NH2 peptide, entity 2 (non-polymer), 356.880 Da

Total weight

1538.267 Da

Max. entity weight

1181.387 Da

Source organism

synthetic construct

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 79 assignments Detail

Download

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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	TRP	HA	H	4.29		1
2	1	1	TRP	HB2	H	3.36
3	1	1	TRP	HB3	H	3.36
4	1	1	TRP	HD1	H	7.30		1
5	1	1	TRP	HE1	H	10.2		1
6	1	1	TRP	HE3	H	7.66		1
7	1	1	TRP	HZ2	H	7.51		1
8	1	1	TRP	HZ3	H	7.17		1
9	1	1	TRP	HH2	H	7.25		1
10	1	2	CYS	H	H	7.68		1
11	1	2	CYS	HA	H	3.47		1
12	1	2	CYS	HB2	H	2.47
13	1	2	CYS	HB3	H	2.79
14	1	3	ASP	H	H	7.24		1
15	1	3	ASP	HA	H	4.46		1
16	1	3	ASP	HB2	H	2.78
17	1	3	ASP	HB3	H	2.93
18	1	4	ALA	H	H	8.38		1
19	1	4	ALA	HA	H	3.82		1
20	1	4	ALA	HB1	H	1.33		1
21	1	4	ALA	HB2	H	1.33		1
22	1	4	ALA	HB3	H	1.33		1
23	1	5	ALA	H	H	7.93		1
24	1	5	ALA	HA	H	4.02		1
25	1	5	ALA	HB1	H	1.37		1
26	1	5	ALA	HB2	H	1.37		1
27	1	5	ALA	HB3	H	1.37		1
28	1	6	CYS	H	H	7.64		1
29	1	6	CYS	HA	H	4.21		1
30	1	6	CYS	HB2	H	2.62
31	1	6	CYS	HB3	H	2.80
32	1	7	CYS	H	H	7.71		1
33	1	7	CYS	HA	H	4.44		1
34	1	7	CYS	HB2	H	2.60
35	1	7	CYS	HB3	H	3.23
36	1	8	ALA	H	H	8.14		1
37	1	8	ALA	HA	H	4.11		1
38	1	8	ALA	HB1	H	1.43		1
39	1	8	ALA	HB2	H	1.43		1
40	1	8	ALA	HB3	H	1.43		1
41	1	9	ALA	H	H	7.83		1
42	1	9	ALA	HA	H	4.16		1
43	1	9	ALA	HB1	H	1.52		1
44	1	9	ALA	HB2	H	1.52		1
45	1	9	ALA	HB3	H	1.52		1
46	1	10	ALA	H	H	7.97		1
47	1	10	ALA	HA	H	4.19		1
48	1	10	ALA	HB1	H	1.50		1
49	1	10	ALA	HB2	H	1.50		1
50	1	10	ALA	HB3	H	1.50		1
51	1	11	LYS	H	H	7.73		1
52	1	11	LYS	HA	H	4.17		1
53	1	11	LYS	HB2	H	1.85
54	1	11	LYS	HB3	H	1.88
55	1	11	LYS	HG2	H	1.46
56	1	11	LYS	HG3	H	1.54
57	1	11	LYS	HD2	H	1.66
58	1	11	LYS	HD3	H	1.66
59	1	11	LYS	HE2	H	2.96
60	1	11	LYS	HE3	H	2.96
61	1	11	LYS	HZ1	H	7.52		1
62	1	11	LYS	HZ2	H	7.52		1
63	1	11	LYS	HZ3	H	7.52		1
64	1	12	ALA	H	H	7.71		1
65	1	12	ALA	HA	H	4.21		1
66	1	12	ALA	HB1	H	1.43		1
67	1	12	ALA	HB2	H	1.43		1
68	1	12	ALA	HB3	H	1.43		1
69	1	13	NH2	HN1	H	6.92		1
70	1	13	NH2	HN2	H	7.21		1
71	2	1	ZBR	H8	H	3.52		1
72	2	1	ZBR	H8A	H	3.64		1
73	2	1	ZBR	H7	H	3.55		1
74	2	1	ZBR	H7A	H	3.71		1
75	2	1	ZBR	H9	H	3.81		1
76	2	1	ZBR	H9A	H	3.51		1
77	2	1	ZBR	H4	H	6.97		1
78	2	1	ZBR	H2	H	6.70		1
79	2	1	ZBR	H6	H	6.60		1

Release date

2023-11-29

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:

Related entities 1. TRP-CYS-ASP-ALA-ALA-CYS-CYS-ALA-ALA-ALA-LYS-ALA-NH2 peptide, entity 1, : 1 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 4 contents Detail