BMRB: 31036

Aspartimidylated Graspetide Amycolimiditide

Authors

Link, A.J., Choi, B.

Assembly

ATP-grasp target RiPP

Entity

1. ATP-grasp target RiPP (polymer, Thiol state: not present), 29 monomers, 3208.109 Da Detail

HTDGQTNTVT DGGDGRYTNK DSDTDHRED

Formula weight

3208.109 Da

Source organism

Amycolatopsis cihanbeyliensis

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 152 assignments Detail

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• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	HIS	H	H	7.345	0	1
2	1	1	HIS	HA	H	4.507	0	1
3	1	1	HIS	HB2	H	3.471	0	2
4	1	1	HIS	HB3	H	3.373	0	2
5	1	2	THR	H	H	8.453	0	1
6	1	2	THR	HA	H	4.683	0	1
7	1	2	THR	HB	H	5.280	0	1
8	1	2	THR	HG21	H	1.163	0	1
9	1	2	THR	HG22	H	1.163	0	1
10	1	2	THR	HG23	H	1.163	0	1
11	1	3	ASP	H	H	8.850	0	1
12	1	3	ASP	HA	H	4.996	0	1
13	1	3	ASP	HB2	H	2.806	0	2
14	1	3	ASP	HB3	H	2.649	0	2
15	1	4	GLY	H	H	8.374	0	1
16	1	4	GLY	HA2	H	4.233	0	2
17	1	4	GLY	HA3	H	3.686	0	2
18	1	5	GLN	H	H	8.635	0	1
19	1	5	GLN	HA	H	4.585	0	1
20	1	5	GLN	HB2	H	1.984	0	1
21	1	5	GLN	HB3	H	1.984	0	1
22	1	5	GLN	HG2	H	2.258	0	1
23	1	5	GLN	HG3	H	2.258	0	1
24	1	6	THR	H	H	8.092	0	1
25	1	6	THR	HA	H	4.664	0	1
26	1	6	THR	HB	H	5.137	0	1
27	1	6	THR	HG21	H	0.928	0	1
28	1	6	THR	HG22	H	0.928	0	1
29	1	6	THR	HG23	H	0.928	0	1
30	1	7	ASN	H	H	8.993	0	1
31	1	7	ASN	HA	H	5.192	0	1
32	1	7	ASN	HB2	H	2.728	0	2
33	1	7	ASN	HB3	H	2.591	0	2
34	1	8	THR	H	H	8.120	0	1
35	1	8	THR	HA	H	4.742	0	1
36	1	8	THR	HB	H	5.172	0	1
37	1	8	THR	HG21	H	0.850	0	1
38	1	8	THR	HG22	H	0.850	0	1
39	1	8	THR	HG23	H	0.850	0	1
40	1	9	VAL	H	H	8.854	0	1
41	1	9	VAL	HA	H	4.468	0	1
42	1	9	VAL	HB	H	1.848	0	1
43	1	9	VAL	HG11	H	0.870	0	1
44	1	9	VAL	HG12	H	0.870	0	1
45	1	9	VAL	HG13	H	0.870	0	1
46	1	9	VAL	HG21	H	0.870	0	1
47	1	9	VAL	HG22	H	0.870	0	1
48	1	9	VAL	HG23	H	0.870	0	1
49	1	10	THR	H	H	7.996	0	1
50	1	10	THR	HA	H	4.644	0	1
51	1	10	THR	HB	H	5.236	0	1
52	1	10	THR	HG21	H	0.889	0	1
53	1	10	THR	HG22	H	0.889	0	1
54	1	10	THR	HG23	H	0.889	0	1
55	1	11	ASP	H	H	8.873	0	1
56	1	11	ASP	HA	H	4.664	0	1
57	1	11	ASP	HB2	H	2.771	0	2
58	1	11	ASP	HB3	H	2.757	0	2
59	1	12	GLY	H	H	8.178	0	1
60	1	12	GLY	HA2	H	3.901	0	2
61	1	12	GLY	HA3	H	3.764	0	2
62	1	13	GLY	H	H	8.126	0	1
63	1	13	GLY	HA2	H	3.862	0	1
64	1	13	GLY	HA3	H	3.862	0	1
65	1	14	ASP	H	H	8.572	0	1
66	1	14	ASP	HA	H	4.583	0	1
67	1	14	ASP	HB2	H	3.138	0	2
68	1	14	ASP	HB3	H	2.747	0	2
69	1	15	GLY	HA2	H	4.238	0	2
70	1	15	GLY	HA3	H	4.205	0	2
71	1	16	ARG	H	H	8.436	0	1
72	1	16	ARG	HA	H	4.018	0	1
73	1	16	ARG	HB2	H	1.495	0	2
74	1	16	ARG	HB3	H	1.451	0	2
75	1	16	ARG	HG2	H	1.163	0	1
76	1	16	ARG	HG3	H	1.163	0	1
77	1	16	ARG	HD2	H	2.943	0	1
78	1	16	ARG	HD3	H	2.943	0	1
79	1	16	ARG	HE	H	6.935	0	1
80	1	17	TYR	H	H	7.836	0	1
81	1	17	TYR	HA	H	4.527	0	1
82	1	17	TYR	HB2	H	3.119	0	2
83	1	17	TYR	HB3	H	2.825	0	2
84	1	17	TYR	HD1	H	7.042	0	1
85	1	17	TYR	HD2	H	7.042	0	1
86	1	17	TYR	HE1	H	6.737	0	1
87	1	17	TYR	HE2	H	6.737	0	1
88	1	18	THR	H	H	7.597	0	1
89	1	18	THR	HA	H	4.214	0	1
90	1	18	THR	HB	H	4.077	0	1
91	1	18	THR	HG21	H	1.026	0	1
92	1	18	THR	HG22	H	1.026	0	1
93	1	18	THR	HG23	H	1.026	0	1
94	1	19	ASN	H	H	8.218	0	1
95	1	19	ASN	HA	H	4.644	0	1
96	1	19	ASN	HB2	H	2.720	0	2
97	1	19	ASN	HB3	H	2.630	0	2
98	1	20	LYS	H	H	8.141	0	1
99	1	20	LYS	HA	H	4.468	0	1
100	1	20	LYS	HB2	H	1.652	0	1
101	1	20	LYS	HB3	H	1.652	0	1
102	1	20	LYS	HG2	H	1.359	0	1
103	1	20	LYS	HG3	H	1.359	0	1
104	1	20	LYS	HD2	H	1.574	0	2
105	1	20	LYS	HD3	H	1.535	0	2
106	1	20	LYS	HE2	H	1.828	0	1
107	1	20	LYS	HE3	H	1.828	0	1
108	1	21	ASP	H	H	8.395	0	1
109	1	21	ASP	HA	H	4.898	0	1
110	1	21	ASP	HB2	H	3.256	0	2
111	1	21	ASP	HB3	H	2.767	0	2
112	1	22	SER	H	H	8.640	0	1
113	1	22	SER	HA	H	5.250	0	1
114	1	22	SER	HB2	H	3.784	0	1
115	1	22	SER	HB3	H	3.784	0	1
116	1	23	ASP	H	H	8.315	0	1
117	1	23	ASP	HA	H	4.820	0	1
118	1	23	ASP	HB2	H	3.197	0	2
119	1	23	ASP	HB3	H	2.627	0	2
120	1	24	THR	H	H	8.534	0	1
121	1	24	THR	HA	H	5.113	0	1
122	1	24	THR	HB	H	3.979	0	1
123	1	24	THR	HG21	H	1.124	0	1
124	1	24	THR	HG22	H	1.124	0	1
125	1	24	THR	HG23	H	1.124	0	1
126	1	25	ASP	H	H	8.532	0	1
127	1	25	ASP	HA	H	4.742	0	1
128	1	25	ASP	HB2	H	3.175	0	2
129	1	25	ASP	HB3	H	2.571	0	2
130	1	26	HIS	H	H	8.558	0	1
131	1	26	HIS	HA	H	5.270	0	1
132	1	26	HIS	HB2	H	3.164	0	2
133	1	26	HIS	HB3	H	2.884	0	2
134	1	27	ARG	H	H	8.671	0	1
135	1	27	ARG	HA	H	4.507	0	1
136	1	27	ARG	HB2	H	1.476	0	1
137	1	27	ARG	HB3	H	1.476	0	1
138	1	27	ARG	HG2	H	1.261	0	2
139	1	27	ARG	HG3	H	1.320	0	2
140	1	27	ARG	HD2	H	3.001	0	1
141	1	27	ARG	HD3	H	3.001	0	1
142	1	27	ARG	HE	H	7.013	0	1
143	1	28	GLU	H	H	8.580	0	1
144	1	28	GLU	HA	H	4.585	0	1
145	1	28	GLU	HB2	H	1.887	0	2
146	1	28	GLU	HB3	H	1.945	0	2
147	1	28	GLU	HG2	H	2.395	0	1
148	1	28	GLU	HG3	H	2.395	0	1
149	1	29	ASP	H	H	8.293	0	1
150	1	29	ASP	HA	H	4.527	0	1
151	1	29	ASP	HB2	H	3.119	0	2
152	1	29	ASP	HB3	H	2.610	0	2

Release date

2022-08-28

Citation

Mechanistic Analysis of the Biosynthesis of the Aspartimidylated Graspetide Amycolimiditide
Choi, B., Elashal, H.E., Cao, L., Link, A.J.
J. Am. Chem. Soc. (2022), 144, 21628-21639, PubMed 36394830 , DOI 10.1021/jacs.2c09004 , Abstract

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

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail