BMRB: 34778

Stapling a host defense peptide for boosted dual targeting of CD14 and bacterial LPS

Authors

Diehl, C.

Assembly

Thrombin light chain

Entity

1. Thrombin light chain (polymer, Thiol state: not present), 18 monomers, 2282.809 Da Detail

HVFRLKKWIX KVIXQFGE

Formula weight

2282.809 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 154, ¹³C: 83, ¹⁵N: 18 assignments Detail

Download

• NMR-STAR v3.1 (partial)
• BMRB/XML (partial)
• CSV
• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	HIS	HA	H	4.395	0.002	1
2	1	1	HIS	HB2	H	3.374	0.007	2
3	1	1	HIS	HB3	H	3.375	0.006	2
4	1	1	HIS	HD2	H	7.269	0.002	1
5	1	1	HIS	HE1	H	8.471	0.002	1
6	1	1	HIS	CA	C	55.813		1
7	1	1	HIS	CB	C	30.691	0.009	1
8	1	1	HIS	CD2	C	120.423		1
9	1	1	HIS	CE1	C	137.532		1
10	1	2	VAL	H	H	7.821	0.002	1
11	1	2	VAL	HA	H	4.330	0.009	1
12	1	2	VAL	HB	H	2.244	0.004	1
13	1	2	VAL	HG11	H	1.094	0.005	2
14	1	2	VAL	HG12	H	1.094	0.005	2
15	1	2	VAL	HG13	H	1.094	0.005	2
16	1	2	VAL	HG21	H	1.090	0.006	2
17	1	2	VAL	HG22	H	1.090	0.006	2
18	1	2	VAL	HG23	H	1.090	0.006	2
19	1	2	VAL	CA	C	62.947		1
20	1	2	VAL	CB	C	32.998		1
21	1	2	VAL	CG1	C	20.840		2
22	1	2	VAL	CG2	C	20.860		2
23	1	2	VAL	N	N	115.526		1
24	1	3	PHE	HA	H	4.435		1
25	1	3	PHE	HB2	H	3.313	0.007	2
26	1	3	PHE	HB3	H	3.483	0.005	2
27	1	3	PHE	HD1	H	7.459	0.004	1
28	1	3	PHE	HD2	H	7.459	0.004	1
29	1	3	PHE	HE1	H	7.591	0.006	1
30	1	3	PHE	HE2	H	7.591	0.006	1
31	1	3	PHE	HZ	H	7.408	0.011	1
32	1	3	PHE	CA	C	56.853		1
33	1	3	PHE	CB	C	39.520	0.04	1
34	1	3	PHE	CD1	C	131.580		1
35	1	3	PHE	CD2	C	131.580		1
36	1	3	PHE	CE1	C	132.062		1
37	1	3	PHE	CE2	C	132.062		1
38	1	3	PHE	CZ	C	129.649		1
39	1	4	ARG	H	H	8.553	0.002	1
40	1	4	ARG	HA	H	4.804	0.025	1
41	1	4	ARG	HB2	H	1.926	0.005	2
42	1	4	ARG	HB3	H	1.926	0.006	2
43	1	4	ARG	HG2	H	1.619	0.007	1
44	1	4	ARG	HG3	H	1.619	0.007	1
45	1	4	ARG	HD2	H	3.310	0.006	2
46	1	4	ARG	HD3	H	3.310	0.006	2
47	1	4	ARG	CA	C	59.386		1
48	1	4	ARG	CB	C	32.755		1
49	1	4	ARG	CG	C	25.527		1
50	1	4	ARG	CD	C	39.480		1
51	1	4	ARG	N	N	123.897		1
52	1	5	LEU	H	H	7.808	0.005	1
53	1	5	LEU	HA	H	4.430	0.005	1
54	1	5	LEU	HB2	H	1.845	0.01	2
55	1	5	LEU	HB3	H	1.779	0.008	2
56	1	5	LEU	HG	H	1.822	0.011	1
57	1	5	LEU	HD11	H	1.144	0.004	2
58	1	5	LEU	HD12	H	1.144	0.004	2
59	1	5	LEU	HD13	H	1.144	0.004	2
60	1	5	LEU	HD21	H	1.077	0.005	2
61	1	5	LEU	HD22	H	1.077	0.005	2
62	1	5	LEU	HD23	H	1.077	0.005	2
63	1	5	LEU	CA	C	56.774		1
64	1	5	LEU	CB	C	42.633	0.02	1
65	1	5	LEU	CG	C	27.164		1
66	1	5	LEU	CD1	C	23.917		2
67	1	5	LEU	CD2	C	23.898		2
68	1	5	LEU	N	N	121.324		1
69	1	6	LYS	H	H	8.242	0.001	1
70	1	6	LYS	HA	H	4.452	0.005	1
71	1	6	LYS	HB2	H	2.047	0.013	2
72	1	6	LYS	HB3	H	1.982	0.004	2
73	1	6	LYS	HG2	H	1.795	0.004	2
74	1	6	LYS	HG3	H	1.854	0.006	2
75	1	6	LYS	HE2	H	3.381	0.004	2
76	1	6	LYS	HE3	H	3.381	0.004	2
77	1	6	LYS	CA	C	56.997		1
78	1	6	LYS	CB	C	30.753	0.001	1
79	1	6	LYS	CG	C	27.488	0.004	1
80	1	6	LYS	CE	C	43.501		1
81	1	6	LYS	N	N	122.528		1
82	1	7	LYS	H	H	8.058	0.003	1
83	1	7	LYS	HA	H	4.208	0.003	1
84	1	7	LYS	HB2	H	2.032	0.011	2
85	1	7	LYS	HB3	H	2.152	0.007	2
86	1	7	LYS	HG2	H	1.565	0.004	2
87	1	7	LYS	HG3	H	1.626	0.005	2
88	1	7	LYS	HD2	H	1.871	0.005	2
89	1	7	LYS	HD3	H	1.871	0.005	2
90	1	7	LYS	HE2	H	3.117	0.004	2
91	1	7	LYS	HE3	H	3.117	0.004	2
92	1	7	LYS	CA	C	59.089		1
93	1	7	LYS	CB	C	32.669	0.021	1
94	1	7	LYS	CG	C	25.348	0.005	1
95	1	7	LYS	CD	C	29.573		1
96	1	7	LYS	CE	C	42.181		1
97	1	7	LYS	N	N	118.078		1
98	1	8	TRP	H	H	7.849	0.003	1
99	1	8	TRP	HA	H	4.623	0.007	1
100	1	8	TRP	HB2	H	3.620	0.003	2
101	1	8	TRP	HB3	H	3.544	0.004	2
102	1	8	TRP	HD1	H	7.398	0.008	1
103	1	8	TRP	HE1	H	9.946	0.001	1
104	1	8	TRP	HE3	H	7.605	0.006	1
105	1	8	TRP	HZ2	H	7.748	0.002	1
106	1	8	TRP	HZ3	H	7.364	0.004	1
107	1	8	TRP	HH2	H	7.264	0.004	1
108	1	8	TRP	CA	C	59.738		1
109	1	8	TRP	CB	C	29.091	0.025	1
110	1	8	TRP	CD1	C	126.496		1
111	1	8	TRP	CE3	C	120.803		1
112	1	8	TRP	CZ2	C	114.421		1
113	1	8	TRP	CZ3	C	124.666		1
114	1	8	TRP	CH2	C	121.976		1
115	1	8	TRP	N	N	118.273		1
116	1	8	TRP	NE1	N	127.333		1
117	1	9	ILE	H	H	7.916	0.004	1
118	1	9	ILE	HA	H	3.830	0.003	1
119	1	9	ILE	HB	H	1.960	0.007	1
120	1	9	ILE	HG12	H	1.285	0.006	2
121	1	9	ILE	HG13	H	1.705	0.005	2
122	1	9	ILE	HG21	H	1.060	0.008	1
123	1	9	ILE	HG22	H	1.060	0.008	1
124	1	9	ILE	HG23	H	1.060	0.008	1
125	1	9	ILE	HD11	H	1.023	0.003	1
126	1	9	ILE	HD12	H	1.023	0.003	1
127	1	9	ILE	HD13	H	1.023	0.003	1
128	1	9	ILE	CA	C	64.225		1
129	1	9	ILE	CB	C	38.375		1
130	1	9	ILE	CG1	C	28.597	0.008	1
131	1	9	ILE	CG2	C	16.820		1
132	1	9	ILE	CD1	C	12.613		1
133	1	9	ILE	N	N	118.760		1
134	1	10	MK8	N	N	127.466		1
135	1	10	MK8	CA	C	20.846		1
136	1	10	MK8	CB	C	40.644	0.02	1
137	1	10	MK8	CD	C	30.386	0.037	1
138	1	10	MK8	CE	C	131.157		1
139	1	10	MK8	CG	C	26.681	0.008	1
140	1	10	MK8	HB1	H	1.611	0.01	1
141	1	10	MK8	HB2	H	2.189	0.004	2
142	1	10	MK8	HB3	H	2.120	0.013	2
143	1	10	MK8	HD	H	2.248	0.01	2
144	1	10	MK8	HDA	H	1.763	0.012	2
145	1	10	MK8	HE	H	5.631	0.002	1
146	1	10	MK8	HG	H	1.630	0.012	2
147	1	10	MK8	HGA	H	1.585	0.015	2
148	1	10	MK8	HN	H	8.701	0.004	1
149	1	11	LYS	H	H	7.990	0.002	1
150	1	11	LYS	HA	H	4.281	0.001	1
151	1	11	LYS	HB2	H	1.930	0.008	2
152	1	11	LYS	HB3	H	1.931	0.01	2
153	1	11	LYS	HG2	H	1.624	0.002	2
154	1	11	LYS	HG3	H	1.753	0.006	2
155	1	11	LYS	HD2	H	1.916	0.002	2
156	1	11	LYS	HD3	H	1.624	0.002	2
157	1	11	LYS	HE2	H	3.177	0.003	2
158	1	11	LYS	HE3	H	3.177	0.003	2
159	1	11	LYS	CA	C	58.745		1
160	1	11	LYS	CB	C	32.755		1
161	1	11	LYS	CG	C	25.536	0.009	1
162	1	11	LYS	CD	C	29.560	0.014	1
163	1	11	LYS	CE	C	42.290		1
164	1	11	LYS	N	N	118.556		1
165	1	12	VAL	H	H	7.934	0.003	1
166	1	12	VAL	HA	H	3.774	0.003	1
167	1	12	VAL	HB	H	2.462	0.005	1
168	1	12	VAL	HG11	H	1.025	0.005	2
169	1	12	VAL	HG12	H	1.025	0.005	2
170	1	12	VAL	HG13	H	1.025	0.005	2
171	1	12	VAL	HG21	H	1.100	0.006	2
172	1	12	VAL	HG22	H	1.100	0.006	2
173	1	12	VAL	HG23	H	1.100	0.006	2
174	1	12	VAL	CA	C	66.692		1
175	1	12	VAL	CB	C	31.801		1
176	1	12	VAL	CG1	C	21.972		2
177	1	12	VAL	CG2	C	20.367		2
178	1	12	VAL	N	N	120.075		1
179	1	13	ILE	H	H	7.795	0.005	1
180	1	13	ILE	HA	H	3.824	0.003	1
181	1	13	ILE	HB	H	2.237	0.005	1
182	1	13	ILE	HG12	H	1.410	0.007	2
183	1	13	ILE	HG13	H	1.806	0.008	2
184	1	13	ILE	HG21	H	1.051	0.003	1
185	1	13	ILE	HG22	H	1.051	0.003	1
186	1	13	ILE	HG23	H	1.051	0.003	1
187	1	13	ILE	HD11	H	0.937	0.003	1
188	1	13	ILE	HD12	H	0.937	0.003	1
189	1	13	ILE	HD13	H	0.937	0.003	1
190	1	13	ILE	CA	C	65.418		1
191	1	13	ILE	CB	C	36.723		1
192	1	13	ILE	CG1	C	28.267	0.012	1
193	1	13	ILE	CG2	C	16.594		1
194	1	13	ILE	CD1	C	10.821		1
195	1	13	ILE	N	N	119.152		1
196	1	14	MK8	N	N	131.772		1
197	1	14	MK8	CA	C	22.608		1
198	1	14	MK8	CB	C	41.659	0.005	1
199	1	14	MK8	CD	C	29.648	0.001	1
200	1	14	MK8	CE	C	132.920		1
201	1	14	MK8	CG	C	26.115	0.025	1
202	1	14	MK8	HB1	H	1.614	0.002	1
203	1	14	MK8	HB2	H	2.113	0.009	2
204	1	14	MK8	HB3	H	1.696	0.007	2
205	1	14	MK8	HD	H	1.800	0.005	2
206	1	14	MK8	HDA	H	2.233	0.006	2
207	1	14	MK8	HE	H	5.504	0.003	1
208	1	14	MK8	HG	H	1.307	0.006	2
209	1	14	MK8	HGA	H	1.798	0.006	2
210	1	14	MK8	HN	H	7.908	0.006	1
211	1	15	GLN	H	H	7.846	0.004	1
212	1	15	GLN	HA	H	4.188	0.003	1
213	1	15	GLN	HB2	H	2.343	0.004	2
214	1	15	GLN	HB3	H	2.188	0.005	2
215	1	15	GLN	HG2	H	2.194	0.007	2
216	1	15	GLN	HG3	H	2.019	0.006	2
217	1	15	GLN	HE21	H	7.170	0.001	1
218	1	15	GLN	HE22	H	6.633	0.002	1
219	1	15	GLN	CA	C	58.637		1
220	1	15	GLN	CB	C	34.319	0.028	1
221	1	15	GLN	CG	C	29.335	0.023	1
222	1	15	GLN	N	N	113.918		1
223	1	15	GLN	NE2	N	109.269	0.018	1
224	1	16	PHE	H	H	8.411	0.002	1
225	1	16	PHE	HA	H	4.831	0.003	1
226	1	16	PHE	HB2	H	3.490	0.004	2
227	1	16	PHE	HB3	H	3.319	0.005	2
228	1	16	PHE	HD1	H	7.593	0.002	1
229	1	16	PHE	HD2	H	7.593	0.002	1
230	1	16	PHE	HE1	H	7.460	0.003	1
231	1	16	PHE	HE2	H	7.460	0.003	1
232	1	16	PHE	HZ	H	7.369	0.002	1
233	1	16	PHE	CA	C	58.523		1
234	1	16	PHE	CB	C	39.528	0.008	1
235	1	16	PHE	CD1	C	131.580		1
236	1	16	PHE	CD2	C	131.580		1
237	1	16	PHE	CE1	C	132.062		1
238	1	16	PHE	CE2	C	132.062		1
239	1	16	PHE	CZ	C	129.933		1
240	1	16	PHE	N	N	117.935		1
241	1	17	GLY	H	H	8.719	0.006	1
242	1	17	GLY	HA2	H	4.195	0.009	2
243	1	17	GLY	HA3	H	4.026	0.005	2
244	1	17	GLY	CA	C	45.674	0.019	1
245	1	17	GLY	N	N	109.405		1
246	1	18	GLU	H	H	7.894	0.004	1
247	1	18	GLU	HA	H	4.468	0.005	1
248	1	18	GLU	HB2	H	2.349	0.008	2
249	1	18	GLU	HB3	H	2.185	0.007	2
250	1	18	GLU	HG2	H	2.602	0.002	2
251	1	18	GLU	HG3	H	2.602	0.002	2
252	1	18	GLU	CA	C	57.008		1
253	1	18	GLU	CB	C	29.973	0.012	1
254	1	18	GLU	CG	C	34.038		1
255	1	18	GLU	N	N	122.986		1

Release date

2023-01-04

Citation

Stapling a host defense peptide for boosted dual targeting of CD14 and bacterial LPS
Diehl, C., Schmidtchen, A., Petruk, G.

Related entities 1. Thrombin light chain, : 1 : 102 : 7 entities Detail

Interaction partners 1. Thrombin light chain, : 17 interactors Detail

Experiments performed 11 experiments Detail

Chemical shift validation 3 contents Detail