BMRB: 31145

Graspetide pre-fuscimiditide A1C/T3C variant

Authors

Link, A.J., Choi, B.

Assembly

ATP-grasp target RiPP

Entity

1. ATP-grasp target RiPP (polymer), 22 monomers, 2413.661 Da Detail

CGCMRVTYPD GQKPGQSDVE KD

Formula weight

2413.661 Da

Source organism

Thermobifida fusca YX

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 130 assignments Detail

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• 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	CYS	H	H	8.565	0	1
2	1	1	CYS	HA	H	4.227	0	1
3	1	1	CYS	HB2	H	2.858	0	2
4	1	1	CYS	HB3	H	2.760	0	2
5	1	2	GLY	H	H	8.568	0	1
6	1	2	GLY	HA2	H	3.953	0	2
7	1	2	GLY	HA3	H	3.757	0	2
8	1	3	CYS	H	H	7.912	0	1
9	1	3	CYS	HA	H	4.501	0	1
10	1	3	CYS	HB2	H	2.819	0	2
11	1	3	CYS	HB3	H	2.819	0	2
12	1	4	MET	H	H	8.436	0	1
13	1	4	MET	HA	H	4.637	0	1
14	1	4	MET	HB2	H	1.880	0	2
15	1	4	MET	HB3	H	1.860	0	2
16	1	4	MET	HG2	H	2.447	0	2
17	1	4	MET	HG3	H	2.369	0	2
18	1	5	ARG	H	H	8.560	0	1
19	1	5	ARG	HA	H	4.520	0	1
20	1	5	ARG	HB2	H	1.684	0	2
21	1	5	ARG	HB3	H	1.626	0	2
22	1	5	ARG	HG2	H	1.469	0	2
23	1	5	ARG	HG3	H	1.469	0	2
24	1	5	ARG	HD2	H	3.073	0	2
25	1	5	ARG	HD3	H	3.073	0	2
26	1	5	ARG	HE	H	7.040	0	1
27	1	6	VAL	H	H	8.326	0	1
28	1	6	VAL	HA	H	4.129	0	1
29	1	6	VAL	HB	H	1.821	0	1
30	1	6	VAL	HG11	H	0.863	0	1
31	1	6	VAL	HG12	H	0.863	0	1
32	1	6	VAL	HG13	H	0.863	0	1
33	1	6	VAL	HG21	H	0.628	0	1
34	1	6	VAL	HG22	H	0.628	0	1
35	1	6	VAL	HG23	H	0.628	0	1
36	1	7	THR	H	H	8.185	0	1
37	1	7	THR	HA	H	4.461	0	1
38	1	7	THR	HB	H	5.048	0	1
39	1	7	THR	HG21	H	0.961	0	1
40	1	7	THR	HG22	H	0.961	0	1
41	1	7	THR	HG23	H	0.961	0	1
42	1	8	TYR	H	H	8.580	0	1
43	1	8	TYR	HA	H	4.852	0	1
44	1	8	TYR	HB2	H	2.956	0	2
45	1	8	TYR	HB3	H	2.643	0	2
46	1	8	TYR	HD1	H	7.024	0	3
47	1	8	TYR	HD2	H	7.024	0	3
48	1	8	TYR	HE1	H	6.652	0	3
49	1	8	TYR	HE2	H	6.652	0	3
50	1	9	PRO	HA	H	4.318	0	1
51	1	9	PRO	HB2	H	2.153	0	2
52	1	9	PRO	HB3	H	1.821	0	2
53	1	9	PRO	HD2	H	3.581	0	2
54	1	9	PRO	HD3	H	3.288	0	2
55	1	10	ASP	H	H	8.589	0	1
56	1	10	ASP	HA	H	4.677	0	1
57	1	10	ASP	HB2	H	2.858	0	2
58	1	10	ASP	HB3	H	2.701	0	2
59	1	11	GLY	H	H	8.294	0	1
60	1	11	GLY	HA2	H	3.933	0	2
61	1	11	GLY	HA3	H	3.757	0	2
62	1	12	GLN	H	H	8.164	0	1
63	1	12	GLN	HA	H	4.109	0	1
64	1	12	GLN	HB2	H	1.821	0	2
65	1	12	GLN	HB3	H	1.821	0	2
66	1	12	GLN	HG2	H	2.173	0	2
67	1	12	GLN	HG3	H	2.076	0	2
68	1	13	LYS	H	H	7.757	0	1
69	1	13	LYS	HA	H	4.501	0	1
70	1	13	LYS	HB2	H	1.704	0	2
71	1	13	LYS	HB3	H	1.567	0	2
72	1	13	LYS	HG2	H	1.313	0	2
73	1	13	LYS	HG3	H	1.313	0	2
74	1	13	LYS	HD2	H	1.567	0	2
75	1	13	LYS	HD3	H	1.567	0	2
76	1	13	LYS	HE2	H	2.877	0	2
77	1	13	LYS	HE3	H	2.877	0	2
78	1	14	PRO	HA	H	4.290	0	1
79	1	14	PRO	HB2	H	2.193	0	2
80	1	14	PRO	HB3	H	1.958	0	2
81	1	14	PRO	HG2	H	1.900	0	2
82	1	14	PRO	HG3	H	1.821	0	2
83	1	14	PRO	HD2	H	3.699	0	2
84	1	14	PRO	HD3	H	3.523	0	2
85	1	15	GLY	H	H	8.485	0	1
86	1	15	GLY	HA2	H	3.933	0	2
87	1	15	GLY	HA3	H	3.816	0	2
88	1	16	GLN	H	H	7.920	0	1
89	1	16	GLN	HA	H	4.442	0	1
90	1	16	GLN	HB2	H	2.076	0	2
91	1	16	GLN	HB3	H	1.900	0	2
92	1	16	GLN	HG2	H	2.232	0	2
93	1	16	GLN	HG3	H	2.232	0	2
94	1	17	SER	H	H	8.317	0	1
95	1	17	SER	HA	H	4.657	0	1
96	1	17	SER	HB2	H	3.795	0	2
97	1	17	SER	HB3	H	3.760	0	2
98	1	18	ASP	H	H	8.694	0	1
99	1	18	ASP	HA	H	4.872	0	1
100	1	18	ASP	HB2	H	3.053	0	2
101	1	18	ASP	HB3	H	2.780	0	2
102	1	19	VAL	H	H	8.301	0	1
103	1	19	VAL	HA	H	4.657	0	1
104	1	19	VAL	HB	H	1.841	0	1
105	1	19	VAL	HG11	H	0.765	0	2
106	1	19	VAL	HG12	H	0.765	0	2
107	1	19	VAL	HG13	H	0.765	0	2
108	1	19	VAL	HG21	H	0.765	0	2
109	1	19	VAL	HG22	H	0.765	0	2
110	1	19	VAL	HG23	H	0.765	0	2
111	1	20	GLU	H	H	8.682	0	1
112	1	20	GLU	HA	H	4.501	0	1
113	1	20	GLU	HB2	H	1.900	0	2
114	1	20	GLU	HB3	H	1.743	0	2
115	1	20	GLU	HG2	H	2.232	0	2
116	1	20	GLU	HG3	H	2.232	0	2
117	1	21	LYS	H	H	8.418	0	1
118	1	21	LYS	HA	H	4.481	0	1
119	1	21	LYS	HB2	H	1.743	0	2
120	1	21	LYS	HB3	H	1.626	0	2
121	1	21	LYS	HG2	H	1.313	0	2
122	1	21	LYS	HG3	H	1.313	0	2
123	1	21	LYS	HD2	H	1.567	0	2
124	1	21	LYS	HD3	H	1.567	0	2
125	1	21	LYS	HE2	H	2.877	0	2
126	1	21	LYS	HE3	H	2.877	0	2
127	1	22	ASP	H	H	8.334	0	1
128	1	22	ASP	HA	H	4.461	0	1
129	1	22	ASP	HB2	H	2.877	0	2
130	1	22	ASP	HB3	H	2.780	0	2

Release date

2024-03-24

Citation

Alternative cross-linking in the graspetide fuscimiditide enables macrocyclic rearrangement
Choi, B., Acuna, A., Link, A.J.

Related entities 1. ATP-grasp target RiPP, : 1 : 2 : 1 entities Detail

Experiments performed 2 experiments Detail

Chemical shift validation 3 contents Detail