BMRB: 30992

Structure of the globular isoform of the novel conotoxin PnID derived from Conus pennaceus

Authors

Loening, N.M., Espiritu, M.J.

Assembly

Chi-conotoxin-like PnMRCL-013

Entity

1. Chi-conotoxin-like PnMRCL-013 (polymer, Thiol state: all disulfide bound), 13 monomers, 1320.628 Da Detail

STCCGYRMCV PCX

Formula weight

1320.628 Da

Entity Connection

disulfide 2 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS3:SG	1:CYS12:SG
2	disulfide	sing	1:CYS4:SG	1:CYS9:SG

Source organism

Conus pennaceus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 71, ¹³C: 35 assignments Detail

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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	SER	HA	H	4.256	0.001	1
2	1	1	SER	HB2	H	3.963	0.004	2
3	1	1	SER	HB3	H	4.051	0.005	2
4	1	1	SER	CA	C	57.774	0.000	1
5	1	1	SER	CB	C	63.388	0.010	1
6	1	2	THR	H	H	8.930	0.003	1
7	1	2	THR	HA	H	4.581	0.001	1
8	1	2	THR	HB	H	4.066	0.003	1
9	1	2	THR	HG21	H	1.187	0.003	1
10	1	2	THR	HG22	H	1.187	0.003	1
11	1	2	THR	HG23	H	1.187	0.003	1
12	1	2	THR	CA	C	62.527	0.000	1
13	1	2	THR	CB	C	70.560	0.000	1
14	1	2	THR	CG2	C	22.546	0.000	1
15	1	3	CYS	H	H	9.249	0.008	1
16	1	3	CYS	HA	H	5.032	0.005	1
17	1	3	CYS	HB2	H	3.064	0.003	2
18	1	3	CYS	HB3	H	3.109	0.003	2
19	1	3	CYS	CA	C	58.621	0.000	1
20	1	3	CYS	CB	C	40.553	0.003	1
21	1	4	CYS	H	H	9.051	0.003	1
22	1	4	CYS	HA	H	5.097	0.005	1
23	1	4	CYS	HB2	H	3.121	0.005	2
24	1	4	CYS	HB3	H	3.221	0.002	2
25	1	4	CYS	CA	C	56.069	0.000	1
26	1	4	CYS	CB	C	45.323	0.005	1
27	1	5	GLY	H	H	8.492	0.003	1
28	1	5	GLY	HA2	H	3.720	0.001	2
29	1	5	GLY	HA3	H	4.333	0.004	2
30	1	5	GLY	CA	C	45.088	0.000	1
31	1	6	TYR	HA	H	4.594	0.008	1
32	1	6	TYR	HB2	H	3.109	0.002	1
33	1	6	TYR	HB3	H	3.109	0.002	1
34	1	6	TYR	HD1	H	7.176	0.003	1
35	1	6	TYR	HD2	H	7.176	0.003	1
36	1	6	TYR	HE1	H	6.862	0.004	1
37	1	6	TYR	HE2	H	6.862	0.004	1
38	1	6	TYR	CA	C	58.966	0.000	1
39	1	6	TYR	CB	C	38.408	0.000	1
40	1	6	TYR	CD1	C	133.585	0.000	1
41	1	6	TYR	CD2	C	133.585	0.000	1
42	1	6	TYR	CE1	C	118.576	0.000	1
43	1	6	TYR	CE2	C	118.576	0.000	1
44	1	7	ARG	H	H	8.603	0.002	1
45	1	7	ARG	HA	H	4.099	0.002	1
46	1	7	ARG	HB2	H	1.818	0.010	1
47	1	7	ARG	HB3	H	1.818	0.010	1
48	1	7	ARG	HG2	H	1.424	0.006	1
49	1	7	ARG	HG3	H	1.424	0.006	1
50	1	7	ARG	HD2	H	3.148	0.004	1
51	1	7	ARG	HD3	H	3.148	0.004	1
52	1	7	ARG	HE	H	7.226	0.003	1
53	1	7	ARG	CA	C	57.943	0.000	1
54	1	7	ARG	CB	C	30.710	0.000	1
55	1	7	ARG	CG	C	27.563	0.000	1
56	1	7	ARG	CD	C	43.462	0.000	1
57	1	8	MET	H	H	8.150	0.007	1
58	1	8	MET	HA	H	4.588	0.001	1
59	1	8	MET	HB2	H	2.150	0.003	1
60	1	8	MET	HB3	H	2.150	0.003	1
61	1	8	MET	HG2	H	2.492	0.004	1
62	1	8	MET	HG3	H	2.492	0.004	1
63	1	8	MET	HE1	H	2.086	0.000	1
64	1	8	MET	HE2	H	2.086	0.000	1
65	1	8	MET	HE3	H	2.086	0.000	1
66	1	8	MET	CB	C	33.256	0.000	1
67	1	8	MET	CG	C	31.825	0.000	1
68	1	8	MET	CE	C	17.034	0.000	1
69	1	9	CYS	H	H	8.525	0.006	1
70	1	9	CYS	HA	H	5.041	0.003	1
71	1	9	CYS	HB2	H	2.784	0.005	2
72	1	9	CYS	HB3	H	3.048	0.003	2
73	1	9	CYS	CA	C	56.748	0.000	1
74	1	9	CYS	CB	C	47.143	0.031	1
75	1	10	VAL	H	H	8.594	0.004	1
76	1	10	VAL	HA	H	4.712	0.002	1
77	1	10	VAL	HB	H	2.239	0.002	1
78	1	10	VAL	HG11	H	0.919	0.002	2
79	1	10	VAL	HG12	H	0.919	0.002	2
80	1	10	VAL	HG13	H	0.919	0.002	2
81	1	10	VAL	HG21	H	0.981	0.002	2
82	1	10	VAL	HG22	H	0.981	0.002	2
83	1	10	VAL	HG23	H	0.981	0.002	2
84	1	10	VAL	CA	C	58.970	0.000	1
85	1	10	VAL	CB	C	33.361	0.000	1
86	1	10	VAL	CG1	C	19.228	0.000	2
87	1	10	VAL	CG2	C	22.002	0.000	2
88	1	11	PRO	HA	H	4.745	0.002	1
89	1	11	PRO	HB2	H	1.864	0.004	2
90	1	11	PRO	HB3	H	2.380	0.003	2
91	1	11	PRO	HG2	H	1.994	0.003	2
92	1	11	PRO	HG3	H	2.116	0.003	2
93	1	11	PRO	HD2	H	3.668	0.004	2
94	1	11	PRO	HD3	H	3.876	0.002	2
95	1	11	PRO	CA	C	63.315	0.000	1
96	1	11	PRO	CB	C	32.072	0.034	1
97	1	11	PRO	CG	C	28.173	0.018	1
98	1	11	PRO	CD	C	50.969	0.010	1
99	1	12	CYS	H	H	8.723	0.003	1
100	1	12	CYS	HA	H	4.612	0.004	1
101	1	12	CYS	HB2	H	2.936	0.002	2
102	1	12	CYS	HB3	H	3.244	0.005	2
103	1	12	CYS	CA	C	55.351	0.000	1
104	1	12	CYS	CB	C	42.258	0.031	1
105	1	13	NH2	HN1	H	7.353	0.001	1
106	1	13	NH2	HN2	H	7.888	0.002	1

Release date

2022-02-09

Citation

Characterization of the Native Disulfide Isomers of the Novel χ-Conotoxin PnID: Implications for Further Increasing Conotoxin Diversity
Espiritu, M.J., Taylor, J.K., Sugai, C.K., Thapa, P., Loening, N.M., Gusman, E., Baoanan, Z.G., Baumann, M.H., Bingham, J.P.
Mar. Drugs (2023), 21, 61-61, PubMed 36827103 , DOI 10.3390/md21020061 , Abstract

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. Chi-conotoxin-like PnMRCL-013, : 1 : 6 : 4 entities Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail