BMRB: 31037

Antimicrobial lasso peptide cloacaenodin

Authors

Carson, D.V., Link, A.J.

Assembly

Cloacaenodin

Entity

1. Cloacaenodin (polymer, Thiol state: not present), 24 monomers, 2601.907 Da Detail

GHSVDRIPEY FGPPGLPGPV LFYS

Formula weight

2601.907 Da

Source organism

Enterobacter hormaechei

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 145 assignments Detail

Download

• NMR-STAR v3.1 (partial)
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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	GLY	H	H	6.364	0	1
2	1	1	GLY	HA2	H	4.141	0	2
3	1	1	GLY	HA3	H	3.222	0	2
4	1	2	HIS	H	H	9.243	0	1
5	1	2	HIS	HA	H	4.932	0	1
6	1	2	HIS	HB2	H	3.148	0	2
7	1	2	HIS	HB3	H	2.960	0	2
8	1	2	HIS	HD2	H	7.203	0	1
9	1	2	HIS	HE1	H	8.421	0	1
10	1	3	SER	H	H	9.094	0	1
11	1	3	SER	HA	H	4.134	0	1
12	1	3	SER	HB2	H	3.697	0	2
13	1	3	SER	HB3	H	3.697	0	2
14	1	4	VAL	H	H	7.542	0	1
15	1	4	VAL	HA	H	3.823	0	1
16	1	4	VAL	HB	H	1.576	0	1
17	1	4	VAL	HG11	H	0.520	0	2
18	1	4	VAL	HG12	H	0.520	0	2
19	1	4	VAL	HG13	H	0.520	0	2
20	1	4	VAL	HG21	H	0.449	0	2
21	1	4	VAL	HG22	H	0.449	0	2
22	1	4	VAL	HG23	H	0.449	0	2
23	1	5	ASP	H	H	7.175	0	1
24	1	5	ASP	HA	H	4.191	0	1
25	1	5	ASP	HB2	H	2.444	0	2
26	1	5	ASP	HB3	H	2.139	0	2
27	1	6	ARG	H	H	7.612	0	1
28	1	6	ARG	HA	H	3.758	0	1
29	1	6	ARG	HB2	H	1.342	0	2
30	1	6	ARG	HB3	H	1.231	0	2
31	1	6	ARG	HG2	H	1.529	0	2
32	1	6	ARG	HG3	H	1.529	0	2
33	1	6	ARG	HD2	H	2.913	0	2
34	1	6	ARG	HD3	H	2.834	0	2
35	1	6	ARG	HE	H	6.992	0	1
36	1	7	ILE	H	H	8.578	0	1
37	1	7	ILE	HA	H	4.417	0	1
38	1	7	ILE	HB	H	1.023	0	1
39	1	7	ILE	HG12	H	0.966	0	2
40	1	7	ILE	HG13	H	0.875	0	2
41	1	7	ILE	HG21	H	0.646	0	1
42	1	7	ILE	HG22	H	0.646	0	1
43	1	7	ILE	HG23	H	0.646	0	1
44	1	7	ILE	HD11	H	0.872	0	1
45	1	7	ILE	HD12	H	0.872	0	1
46	1	7	ILE	HD13	H	0.872	0	1
47	1	8	PRO	HA	H	3.835	0	1
48	1	8	PRO	HB2	H	1.847	0	2
49	1	8	PRO	HB3	H	1.718	0	2
50	1	8	PRO	HG3	H	1.296	0	2
51	1	8	PRO	HD2	H	3.477	0	2
52	1	8	PRO	HD3	H	3.477	0	2
53	1	9	GLU	H	H	8.189	0	1
54	1	9	GLU	HA	H	3.688	0	1
55	1	9	GLU	HB2	H	1.130	0	2
56	1	9	GLU	HB3	H	1.130	0	2
57	1	9	GLU	HG2	H	1.482	0	2
58	1	9	GLU	HG3	H	1.482	0	2
59	1	10	TYR	H	H	7.631	0	1
60	1	10	TYR	HA	H	4.217	0	1
61	1	10	TYR	HB2	H	2.570	0	2
62	1	10	TYR	HB3	H	2.513	0	2
63	1	10	TYR	HD1	H	6.678	0	3
64	1	10	TYR	HD2	H	6.678	0	3
65	1	10	TYR	HE1	H	6.387	0	3
66	1	10	TYR	HE2	H	6.387	0	3
67	1	11	PHE	H	H	7.996	0	1
68	1	11	PHE	HA	H	4.250	0	1
69	1	11	PHE	HB2	H	2.726	0	2
70	1	11	PHE	HB3	H	2.516	0	2
71	1	11	PHE	HD1	H	6.504	0	3
72	1	11	PHE	HD2	H	6.504	0	3
73	1	11	PHE	HE1	H	6.945	0	3
74	1	11	PHE	HE2	H	6.945	0	3
75	1	12	GLY	H	H	6.945	0	1
76	1	12	GLY	HA2	H	3.606	0	2
77	1	12	GLY	HA3	H	3.606	0	2
78	1	13	PRO	HA	H	4.373	0	1
79	1	13	PRO	HB2	H	2.050	0	2
80	1	13	PRO	HB3	H	1.717	0	2
81	1	13	PRO	HG3	H	1.599	0	2
82	1	13	PRO	HD2	H	3.265	0	2
83	1	13	PRO	HD3	H	3.265	0	2
84	1	14	PRO	HA	H	4.171	0	1
85	1	14	PRO	HB2	H	2.001	0	2
86	1	14	PRO	HB3	H	1.717	0	2
87	1	14	PRO	HG3	H	1.552	0	2
88	1	14	PRO	HD2	H	3.312	0	2
89	1	14	PRO	HD3	H	3.312	0	2
90	1	15	GLY	H	H	8.267	0	1
91	1	15	GLY	HA2	H	3.664	0	2
92	1	15	GLY	HA3	H	3.477	0	2
93	1	16	LEU	H	H	8.018	0	1
94	1	16	LEU	HA	H	4.293	0	1
95	1	16	LEU	HB2	H	1.215	0	2
96	1	16	LEU	HB3	H	1.145	0	2
97	1	16	LEU	HG	H	1.083	0	1
98	1	16	LEU	HD11	H	0.504	0	2
99	1	16	LEU	HD12	H	0.504	0	2
100	1	16	LEU	HD13	H	0.504	0	2
101	1	16	LEU	HD21	H	0.504	0	2
102	1	16	LEU	HD22	H	0.504	0	2
103	1	16	LEU	HD23	H	0.504	0	2
104	1	19	PRO	HA	H	4.067	0	1
105	1	19	PRO	HB2	H	1.834	0	2
106	1	19	PRO	HB3	H	1.595	0	2
107	1	19	PRO	HG3	H	1.346	0	2
108	1	19	PRO	HD2	H	3.172	0	2
109	1	19	PRO	HD3	H	3.172	0	2
110	1	20	VAL	H	H	8.123	0	1
111	1	20	VAL	HA	H	3.579	0	1
112	1	20	VAL	HB	H	1.660	0	1
113	1	20	VAL	HG11	H	0.594	0	2
114	1	20	VAL	HG12	H	0.594	0	2
115	1	20	VAL	HG13	H	0.594	0	2
116	1	20	VAL	HG21	H	0.381	0	2
117	1	20	VAL	HG22	H	0.381	0	2
118	1	20	VAL	HG23	H	0.381	0	2
119	1	21	LEU	H	H	7.264	0	1
120	1	21	LEU	HA	H	4.315	0	1
121	1	21	LEU	HB2	H	1.052	0	2
122	1	21	LEU	HB3	H	0.919	0	2
123	1	21	LEU	HG	H	0.708	0	1
124	1	21	LEU	HD11	H	0.379	0	2
125	1	21	LEU	HD12	H	0.379	0	2
126	1	21	LEU	HD13	H	0.379	0	2
127	1	21	LEU	HD21	H	0.309	0	2
128	1	21	LEU	HD22	H	0.309	0	2
129	1	21	LEU	HD23	H	0.309	0	2
130	1	22	PHE	H	H	9.210	0	1
131	1	22	PHE	HA	H	5.190	0	1
132	1	22	PHE	HB2	H	2.271	0	2
133	1	22	PHE	HB3	H	2.045	0	2
134	1	23	TYR	H	H	10.320	0	1
135	1	23	TYR	HA	H	4.955	0	1
136	1	23	TYR	HB2	H	2.890	0	2
137	1	23	TYR	HB3	H	2.890	0	2
138	1	23	TYR	HD1	H	6.780	0	3
139	1	23	TYR	HD2	H	6.780	0	3
140	1	23	TYR	HE1	H	6.485	0	3
141	1	23	TYR	HE2	H	6.485	0	3
142	1	24	SER	H	H	8.420	0	1
143	1	24	SER	HA	H	4.134	0	1
144	1	24	SER	HB2	H	3.613	0	2
145	1	24	SER	HB3	H	3.547	0	2

Release date

2022-08-07

Citation

Cloacaenodin, an Antimicrobial Lasso Peptide with Activity against Enterobacter
Carson, D.V., Patino, M., Elashal, H.E., Cartagena, A.J., Zhang, Y., Whitley, M.E., So, L., Kayser-Browne, A.K., Earl, A.M., Bhattacharyya, R.P., Link, A.J.
ACS Infect. Dis. (2022), 9, 111-121, PubMed 36519726 , DOI 10.1021/acsinfecdis.2c00446 , Abstract

Related entities 1. Cloacaenodin, : 1 : 3 entities Detail

Experiments performed 2 experiments Detail

Chemical shift validation 3 contents Detail