BMRB: 36087

EFK17A structure in Microgel MAA60

Authors

Datta, A., Bhunia, A.

Assembly

analogue peptide VG13P

Entity

1. analogue peptide VG13P (polymer, Thiol state: not present), 17 monomers, 2174.589 Da Detail

EFKRIVQRIK DFLRNLV

Formula weight

2174.589 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

distance geometry

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 132 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	GLU	H	H	8.718	0.024	1
2	1	1	GLU	HA	H	4.308	0.007	1
3	1	1	GLU	HB2	H	2.287	0.024	1
4	1	1	GLU	HB3	H	2.161	0.001	1
5	1	1	GLU	HG2	H	2.553	0.007	1
6	1	1	GLU	HG3	H	2.553	0.007	1
7	1	2	PHE	H	H	8.281	0.004	1
8	1	2	PHE	HA	H	4.601	0.09	1
9	1	2	PHE	HB2	H	3.145	0.004	1
10	1	2	PHE	HB3	H	3.057	0.001	1
11	1	2	PHE	HD1	H	7.256	0.002	1
12	1	2	PHE	HD2	H	7.256	0.002	1
13	1	2	PHE	HE1	H	7.353	0.018	1
14	1	2	PHE	HE2	H	7.353	0.018	1
15	1	3	LYS	H	H	8.093	0.005	1
16	1	3	LYS	HA	H	4.249	0.008	1
17	1	3	LYS	HB2	H	1.865	0.002	1
18	1	3	LYS	HB3	H	1.865	0.002	1
19	1	3	LYS	HG2	H	1.360	0.002	1
20	1	3	LYS	HG3	H	1.360	0.002	1
21	1	3	LYS	HD2	H	1.661	0.002	1
22	1	3	LYS	HD3	H	1.661	0.002	1
23	1	4	ARG	H	H	8.331	0.004	1
24	1	4	ARG	HA	H	4.073	0.09	1
25	1	4	ARG	HB2	H	2.043	0.001	1
26	1	4	ARG	HB3	H	2.043	0.001	1
27	1	4	ARG	HG2	H	1.866	0.003	1
28	1	4	ARG	HG3	H	1.866	0.003	1
29	1	4	ARG	HD2	H	3.436	0.007	1
30	1	4	ARG	HD3	H	3.436	0.007	1
31	1	5	ILE	H	H	8.235	0.002	1
32	1	5	ILE	HA	H	4.139	0.002	1
33	1	5	ILE	HG12	H	1.497	0.003	1
34	1	5	ILE	HG21	H	1.198	0.001	1
35	1	5	ILE	HG22	H	1.198	0.001	1
36	1	5	ILE	HG23	H	1.198	0.001	1
37	1	5	ILE	HD11	H	0.997	0.003	1
38	1	5	ILE	HD12	H	0.997	0.003	1
39	1	5	ILE	HD13	H	0.997	0.003	1
40	1	6	VAL	H	H	8.283	0.003	1
41	1	6	VAL	HA	H	4.065	0.001	1
42	1	6	VAL	HB	H	2.020	0.004	1
43	1	6	VAL	HG11	H	0.908	0.001	1
44	1	6	VAL	HG12	H	0.908	0.001	1
45	1	6	VAL	HG13	H	0.908	0.001	1
46	1	6	VAL	HG21	H	0.908	0.001	1
47	1	6	VAL	HG22	H	0.908	0.001	1
48	1	6	VAL	HG23	H	0.908	0.001	1
49	1	7	GLN	H	H	8.453	0.001	1
50	1	7	GLN	HA	H	4.308	0.003	1
51	1	7	GLN	HB2	H	2.188	0.002	1
52	1	7	GLN	HB3	H	2.025	0.001	1
53	1	7	GLN	HG2	H	2.352	0.002	1
54	1	7	GLN	HG3	H	2.352	0.002	1
55	1	8	ARG	H	H	8.458	0.001	1
56	1	8	ARG	HA	H	3.881	0.002	1
57	1	8	ARG	HB2	H	1.754	0.001	1
58	1	8	ARG	HB3	H	1.656	0.003	1
59	1	8	ARG	HG2	H	1.572	0.002	1
60	1	8	ARG	HG3	H	1.572	0.002	1
61	1	9	ILE	H	H	8.207	0.001	1
62	1	9	ILE	HA	H	4.130	0.002	1
63	1	9	ILE	HB	H	1.838	0.001	1
64	1	9	ILE	HG12	H	1.492	0.001	1
65	1	9	ILE	HG21	H	1.196	0.001	1
66	1	9	ILE	HG22	H	1.196	0.001	1
67	1	9	ILE	HG23	H	1.196	0.001	1
68	1	9	ILE	HD11	H	0.991	0.001	1
69	1	9	ILE	HD12	H	0.991	0.001	1
70	1	9	ILE	HD13	H	0.991	0.001	1
71	1	10	LYS	H	H	8.354	0.003	1
72	1	10	LYS	HA	H	4.183	0.001	1
73	1	10	LYS	HB2	H	1.878	0.001	1
74	1	10	LYS	HB3	H	1.878	0.001	1
75	1	10	LYS	HG2	H	1.423	0.001	1
76	1	10	LYS	HG3	H	1.423	0.001	1
77	1	10	LYS	HD2	H	1.731	0.001	1
78	1	10	LYS	HD3	H	1.731	0.001	1
79	1	11	ASP	H	H	8.224	0.001	1
80	1	11	ASP	HA	H	4.537	0.004	1
81	1	11	ASP	HB2	H	2.828	0.003	1
82	1	11	ASP	HB3	H	2.828	0.003	1
83	1	12	PHE	H	H	8.117	0.002	1
84	1	12	PHE	HA	H	4.528	0.005	1
85	1	12	PHE	HB2	H	3.192	0.002	1
86	1	12	PHE	HB3	H	3.192	0.002	1
87	1	12	PHE	HD1	H	7.243	0.003	1
88	1	12	PHE	HD2	H	7.243	0.003	1
89	1	12	PHE	HE1	H	7.389	0.005	1
90	1	12	PHE	HE2	H	7.389	0.005	1
91	1	13	LEU	H	H	8.112	0.001	1
92	1	13	LEU	HA	H	4.289	0.001	1
93	1	13	LEU	HG	H	1.543	0.002	1
94	1	13	LEU	HD11	H	0.907	0.001	1
95	1	13	LEU	HD12	H	0.907	0.001	1
96	1	13	LEU	HD13	H	0.907	0.001	1
97	1	13	LEU	HD21	H	0.907	0.001	1
98	1	13	LEU	HD22	H	0.907	0.001	1
99	1	13	LEU	HD23	H	0.907	0.001	1
100	1	14	ARG	H	H	8.199	0.002	1
101	1	14	ARG	HA	H	4.297	0.002	1
102	1	14	ARG	HB2	H	2.096	0.002	1
103	1	14	ARG	HB3	H	2.056	0.003	1
104	1	14	ARG	HG2	H	1.846	0.003	1
105	1	14	ARG	HG3	H	1.846	0.003	1
106	1	14	ARG	HD2	H	3.401	0.001	1
107	1	14	ARG	HD3	H	3.401	0.001	1
108	1	15	ASN	H	H	8.316	0.002	1
109	1	15	ASN	HA	H	4.669	0.004	1
110	1	15	ASN	HB2	H	2.838	0.001	1
111	1	15	ASN	HB3	H	2.660	0.001	1
112	1	15	ASN	HD21	H	7.599	0.004	1
113	1	15	ASN	HD22	H	6.898	0.002	1
114	1	16	LEU	H	H	8.169	0.003	1
115	1	16	LEU	HA	H	4.340	0.003	1
116	1	16	LEU	HB2	H	1.628	0.002	1
117	1	16	LEU	HB3	H	1.628	0.002	1
118	1	16	LEU	HG	H	1.423	0.001	1
119	1	16	LEU	HD11	H	0.904	0.002	1
120	1	16	LEU	HD12	H	0.904	0.002	1
121	1	16	LEU	HD13	H	0.904	0.002	1
122	1	16	LEU	HD21	H	0.904	0.002	1
123	1	16	LEU	HD22	H	0.904	0.002	1
124	1	16	LEU	HD23	H	0.904	0.002	1
125	1	17	VAL	HA	H	4.094	0.002	1
126	1	17	VAL	HB	H	2.039	0.001	1
127	1	17	VAL	HG11	H	0.939	0.003	1
128	1	17	VAL	HG12	H	0.939	0.003	1
129	1	17	VAL	HG13	H	0.939	0.003	1
130	1	17	VAL	HG21	H	0.939	0.003	1
131	1	17	VAL	HG22	H	0.939	0.003	1
132	1	17	VAL	HG23	H	0.939	0.003	1

Protein Blocks Logo

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

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Release date

2017-08-29

Citation

Conformational Aspects of High Content Packing of Antimicrobial Peptides in Polymer Microgels
Singh, S., Datta, A., Borro, B.C., Davoudi, M., Schmidtchen, A., Bhunia, A., Malmsten, M.
ACS Appl. Mater. Interfaces (2017), 9, 40094-40106, PubMed 29087182 , DOI 10.1021/acsami.7b13714 , Abstract

Related entities 1. analogue peptide VG13P, : 1 : 13 : 4 : 3 entities Detail

Interaction partners 1. analogue peptide VG13P, : 2 interactors Detail

Experiments performed 2 experiments Detail

NMR combined restraints 4 contents Detail