BMRB: 36079

Beta-Ginkgotides: Hyperdisulfide-constrained peptides from Ginkgo biloba

Authors

Wong, K.H., Tan, W.L., Xiao, T., Tam, J.P.

Assembly

beta-ginkgotide, beta-gB1

Entity

1. beta-ginkgotide, beta-gB1 (polymer, Thiol state: all disulfide bound), 20 monomers, 2381.774 Da Detail

YETGCKRCCY LDEYGCIRCC

Formula weight

2381.774 Da

Entity Connection

disulfide 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS5:SG	1:CYS16:SG
2	disulfide	sing	1:CYS8:SG	1:CYS20:SG
3	disulfide	sing	1:CYS9:SG	1:CYS19:SG

Source organism

Ginkgo biloba

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 102 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	TYR	HA	H	4.171	0.004
2	1	1	TYR	HB2	H	3.241	0.001
3	1	1	TYR	HB3	H	2.74	0.003
4	1	1	TYR	HD1	H	6.833	0.001
5	1	1	TYR	HD2	H	6.725	0.001
6	1	2	GLU	H	H	8.878	0.005
7	1	2	GLU	HA	H	4.635	0.002
8	1	2	GLU	HB2	H	2.026	0.006
9	1	2	GLU	HB3	H	1.578	0.002
10	1	2	GLU	HG2	H	2.395	0.003
11	1	2	GLU	HG3	H	2.345	0
12	1	3	THR	H	H	8.575	0.001
13	1	3	THR	HA	H	4.461	0.002
14	1	3	THR	HB	H	4.221	0.003
15	1	3	THR	HG21	H	1.131	0.002
16	1	3	THR	HG22	H	1.131	0.002
17	1	3	THR	HG23	H	1.131	0.002
18	1	4	GLY	H	H	8.559	0.001
19	1	4	GLY	HA2	H	3.968	0.002
20	1	4	GLY	HA3	H	3.821	0.004
21	1	5	CYS	H	H	8.207	0.001
22	1	5	CYS	HA	H	4.534	0.001
23	1	5	CYS	HB2	H	2.975	0.009
24	1	5	CYS	HB3	H	2.616	0.002
25	1	6	LYS	H	H	8.97	0.003
26	1	6	LYS	HA	H	4.051	0.003
27	1	6	LYS	HB2	H	1.771	0.002
28	1	6	LYS	HG2	H	1.474	0
29	1	6	LYS	HD2	H	1.624	0
30	1	7	ARG	H	H	7.631	0.001
31	1	7	ARG	HA	H	4.274	0.004
32	1	7	ARG	HB2	H	1.567	0
33	1	7	ARG	HB3	H	1.555	0.002
34	1	7	ARG	HG2	H	1.496	0.001
35	1	7	ARG	HE	H	7.075	0
36	1	8	CYS	H	H	9.313	0.003
37	1	8	CYS	HA	H	4.654	0.001
38	1	8	CYS	HB2	H	3.104	0.009
39	1	8	CYS	HB3	H	2.989	0.003
40	1	9	CYS	H	H	8.726	0.004
41	1	9	CYS	HA	H	4.888	0.001
42	1	9	CYS	HB2	H	2.876	0.004
43	1	9	CYS	HB3	H	2.509	0.01
44	1	10	TYR	H	H	7.776	0.002
45	1	10	TYR	HA	H	4.775	0.002
46	1	10	TYR	HB2	H	2.998	0.007
47	1	10	TYR	HB3	H	2.803	0.002
48	1	10	TYR	HD1	H	6.981	0.007
49	1	10	TYR	HD2	H	6.792	0.002
50	1	11	LEU	H	H	8.824	0.002
51	1	11	LEU	HA	H	4.824	0.003
52	1	11	LEU	HB2	H	1.848	0.004
53	1	11	LEU	HG	H	1.512	0.002
54	1	11	LEU	HD11	H	0.712	0.003
55	1	11	LEU	HD12	H	0.712	0.003
56	1	11	LEU	HD13	H	0.712	0.003
57	1	12	ASP	H	H	8.422	0.001
58	1	12	ASP	HA	H	3.899	0
59	1	12	ASP	HB2	H	3.276	0.008
60	1	12	ASP	HB3	H	2.76	0.001
61	1	13	GLU	H	H	8.225	0.001
62	1	13	GLU	HA	H	3.855	0.003
63	1	13	GLU	HB2	H	1.488	0
64	1	13	GLU	HB3	H	1.693	0
65	1	13	GLU	HG2	H	1.695	0.002
66	1	14	TYR	H	H	8.009	0.005
67	1	14	TYR	HA	H	4.406	0.001
68	1	14	TYR	HB2	H	2.921	0.001
69	1	14	TYR	HB3	H	2.734	0.001
70	1	14	TYR	HD1	H	6.998	0.006
71	1	14	TYR	HD2	H	6.718	0.001
72	1	15	GLY	H	H	7.662	0.002
73	1	15	GLY	HA2	H	3.644	0.004
74	1	15	GLY	HA3	H	3.415	0.004
75	1	16	CYS	H	H	8.802	0.002
76	1	16	CYS	HA	H	4.631	0.002
77	1	16	CYS	HB2	H	3.288	0.001
78	1	16	CYS	HB3	H	3.012	0.003
79	1	17	ILE	H	H	9.224	0.005
80	1	17	ILE	HA	H	3.95	0.002
81	1	17	ILE	HB	H	1.519	0.005
82	1	17	ILE	HG12	H	1.42	0.003
83	1	17	ILE	HG21	H	0.964	0.004
84	1	17	ILE	HG22	H	0.804	0.003
85	1	17	ILE	HG23	H	0.964	0.004
86	1	17	ILE	HD11	H	0.519	0.002
87	1	17	ILE	HD12	H	0.519	0.002
88	1	17	ILE	HD13	H	0.519	0.002
89	1	18	ARG	H	H	7.624	0.002
90	1	18	ARG	HA	H	4.645	0.003
91	1	18	ARG	HB2	H	1.776	0.003
92	1	18	ARG	HB3	H	1.676	0.002
93	1	18	ARG	HG2	H	1.605	0.008
94	1	18	ARG	HE	H	7.179	0
95	1	19	CYS	H	H	8.969	0
96	1	19	CYS	HA	H	4.91	0.002
97	1	19	CYS	HB2	H	3.541	0.011
98	1	19	CYS	HB3	H	2.767	0.003
99	1	20	CYS	H	H	8.722	0.001
100	1	20	CYS	HA	H	4.471	0
101	1	20	CYS	HB2	H	3.164	0.011
102	1	20	CYS	HB3	H	2.586	0.007

Protein Blocks Logo

Calculated from 20 models in PDB: 5XIV, Strand ID: A Detail

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Release date

2017-07-24

Citation

β-Ginkgotides: Hyperdisulfide-constrained peptides from Ginkgo biloba
Wong, K.H., Tan, W.L., Xiao, T., Tam, J.P.
Sci. Rep. (2017), 7, 6140-6140, PubMed 28733600 , DOI 10.1038/s41598-017-06598-x , Abstract

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. beta-ginkgotide, beta-gB1, : 1 : 2 entities Detail

Experiments performed 2 experiments Detail