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BMRB: 34655

2MHV

PAF in 50 v/v % DMSO-water solution

Authors

Czajlik, A., Batta, G.

Assembly

Pc24g00380 protein

Entity

1. Pc24g00380 protein (polymer, Thiol state: all disulfide bound), 55 monomers, 6249.991 Da Detail

AKYTGKCTKS KNECKYKNDA GKDTFIKCPK FDNKKCTKDN NKCTVDTYNN AVDCD

Formula weight

6249.991 Da

Entity Connection

disulfide 3 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS7:SG	1:CYS36:SG
2	disulfide	sing	1:CYS14:SG	1:CYS43:SG
3	disulfide	sing	1:CYS28:SG	1:CYS54:SG

Source organism

Penicillium rubens Wisconsin 54-1255

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 328, ¹⁵N: 60 assignments Detail

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	ALA	HA	H	3.789	0.020	1
2	1	1	ALA	HB1	H	1.224	0.020	1
3	1	1	ALA	HB2	H	1.224	0.020	1
4	1	1	ALA	HB3	H	1.224	0.020	1
5	1	2	LYS	H	H	8.243	0.020	1
6	1	2	LYS	HA	H	5.218	0.020	1
7	1	2	LYS	HB2	H	1.433	0.020	2
8	1	2	LYS	HB3	H	1.402	0.020	2
9	1	2	LYS	HG2	H	1.205	0.020	2
10	1	2	LYS	HG3	H	1.090	0.020	2
11	1	2	LYS	HE2	H	2.756	0.020	1
12	1	2	LYS	N	N	120.155	0.100	1
13	1	3	TYR	H	H	8.757	0.020	1
14	1	3	TYR	HA	H	4.675	0.020	1
15	1	3	TYR	HB2	H	2.757	0.020	2
16	1	3	TYR	HB3	H	1.956	0.020	2
17	1	3	TYR	HD1	H	6.925	0.020	1
18	1	3	TYR	HD2	H	6.925	0.020	1
19	1	3	TYR	HE1	H	6.627	0.020	1
20	1	3	TYR	HE2	H	6.627	0.020	1
21	1	3	TYR	N	N	121.773	0.100	1
22	1	4	THR	H	H	8.630	0.002	1
23	1	4	THR	HA	H	5.004	0.020	1
24	1	4	THR	HB	H	3.944	0.020	1
25	1	4	THR	HG21	H	1.217	0.020	1
26	1	4	THR	HG22	H	1.217	0.020	1
27	1	4	THR	HG23	H	1.217	0.020	1
28	1	4	THR	N	N	116.814	0.100	1
29	1	5	GLY	H	H	8.909	0.020	1
30	1	5	GLY	HA2	H	3.988	0.020	2
31	1	5	GLY	HA3	H	4.508	0.020	2
32	1	5	GLY	N	N	114.302	0.100	1
33	1	6	LYS	H	H	8.475	0.020	1
34	1	6	LYS	HA	H	5.278	0.020	1
35	1	6	LYS	HB2	H	1.527	0.020	2
36	1	6	LYS	HB3	H	1.544	0.020	2
37	1	6	LYS	HG2	H	1.309	0.020	2
38	1	6	LYS	HG3	H	1.257	0.020	2
39	1	6	LYS	HD2	H	1.608	0.020	1
40	1	6	LYS	HE2	H	2.819	0.002	1
41	1	6	LYS	N	N	119.795	0.100	1
42	1	7	CYS	H	H	9.519	0.020	1
43	1	7	CYS	HA	H	6.191	0.020	1
44	1	7	CYS	HB2	H	3.349	0.020	2
45	1	7	CYS	HB3	H	2.829	0.020	2
46	1	7	CYS	N	N	121.194	0.100	1
47	1	8	THR	H	H	8.754	0.020	1
48	1	8	THR	HA	H	4.743	0.020	1
49	1	8	THR	HB	H	3.985	0.020	1
50	1	8	THR	HG21	H	1.209	0.020	1
51	1	8	THR	HG22	H	1.209	0.020	1
52	1	8	THR	HG23	H	1.209	0.020	1
53	1	8	THR	N	N	114.860	0.100	1
54	1	9	LYS	H	H	9.029	0.020	1
55	1	9	LYS	HA	H	3.514	0.020	1
56	1	9	LYS	HB2	H	1.625	0.020	2
57	1	9	LYS	HB3	H	1.242	0.020	2
58	1	9	LYS	HG2	H	1.185	0.020	2
59	1	9	LYS	HG3	H	1.044	0.020	2
60	1	9	LYS	HD2	H	1.421	0.020	1
61	1	9	LYS	HE2	H	2.802	0.020	2
62	1	9	LYS	HE3	H	2.773	0.020	2
63	1	9	LYS	N	N	129.618	0.100	1
64	1	10	SER	H	H	9.128	0.020	1
65	1	10	SER	HA	H	3.891	0.020	1
66	1	10	SER	HB2	H	3.785	0.020	2
67	1	10	SER	HB3	H	3.698	0.020	2
68	1	10	SER	N	N	115.369	0.100	1
69	1	11	LYS	H	H	6.519	0.020	1
70	1	11	LYS	HA	H	4.123	0.020	1
71	1	11	LYS	HB2	H	1.670	0.020	2
72	1	11	LYS	HB3	H	1.312	0.020	2
73	1	11	LYS	HG2	H	1.177	0.020	1
74	1	11	LYS	HE2	H	2.677	0.020	1
75	1	11	LYS	N	N	114.824	0.100	1
76	1	12	ASN	H	H	7.666	0.020	1
77	1	12	ASN	HA	H	4.456	0.020	1
78	1	12	ASN	HB2	H	2.153	0.020	2
79	1	12	ASN	HB3	H	3.154	0.020	2
80	1	12	ASN	HD21	H	6.996	0.020	1
81	1	12	ASN	HD22	H	6.161	0.020	1
82	1	12	ASN	N	N	120.795	0.100	1
83	1	12	ASN	ND2	N	110.405	0.100	1
84	1	13	GLU	H	H	7.228	0.020	1
85	1	13	GLU	HA	H	4.839	0.020	1
86	1	13	GLU	HB2	H	1.723	0.020	2
87	1	13	GLU	HB3	H	1.610	0.020	2
88	1	13	GLU	HG2	H	1.979	0.020	2
89	1	13	GLU	HG3	H	1.852	0.020	2
90	1	13	GLU	N	N	114.836	0.100	1
91	1	14	CYS	H	H	9.564	0.020	1
92	1	14	CYS	HA	H	4.587	0.020	1
93	1	14	CYS	HB2	H	2.769	0.020	2
94	1	14	CYS	HB3	H	2.546	0.020	2
95	1	14	CYS	N	N	122.967	0.100	1
96	1	15	LYS	H	H	8.636	0.020	1
97	1	15	LYS	HA	H	4.909	0.020	1
98	1	15	LYS	HB2	H	1.693	0.020	2
99	1	15	LYS	HB3	H	1.397	0.020	2
100	1	15	LYS	HG2	H	0.633	0.020	2
101	1	15	LYS	HG3	H	0.412	0.020	2
102	1	15	LYS	HD2	H	1.329	0.020	1
103	1	15	LYS	HE2	H	2.555	0.020	1
104	1	15	LYS	N	N	130.565	0.100	1
105	1	16	TYR	H	H	8.723	0.020	1
106	1	16	TYR	HA	H	4.868	0.020	1
107	1	16	TYR	HB2	H	2.640	0.020	2
108	1	16	TYR	HB3	H	2.322	0.020	2
109	1	16	TYR	HD1	H	6.376	0.020	1
110	1	16	TYR	HD2	H	6.376	0.020	1
111	1	16	TYR	HE1	H	5.792	0.020	1
112	1	16	TYR	HE2	H	5.792	0.020	1
113	1	16	TYR	N	N	124.368	0.100	1
114	1	17	LYS	H	H	8.330	0.020	1
115	1	17	LYS	HA	H	4.484	0.020	1
116	1	17	LYS	HB2	H	1.650	0.020	2
117	1	17	LYS	HB3	H	1.353	0.020	2
118	1	17	LYS	HG2	H	1.228	0.020	2
119	1	17	LYS	HG3	H	1.167	0.020	2
120	1	17	LYS	N	N	120.220	0.100	1
121	1	18	ASN	H	H	7.746	0.020	1
122	1	18	ASN	HA	H	4.219	0.020	1
123	1	18	ASN	HB2	H	3.323	0.020	2
124	1	18	ASN	HB3	H	2.510	0.020	2
125	1	18	ASN	HD21	H	7.368	0.020	1
126	1	18	ASN	HD22	H	6.735	0.020	1
127	1	18	ASN	N	N	120.275	0.100	1
128	1	18	ASN	ND2	N	111.485	0.100	1
129	1	19	ASP	H	H	8.245	0.020	1
130	1	19	ASP	HA	H	4.260	0.020	1
131	1	19	ASP	HB2	H	2.650	0.020	2
132	1	19	ASP	HB3	H	2.465	0.020	2
133	1	19	ASP	N	N	115.900	0.100	1
134	1	20	ALA	H	H	7.336	0.020	1
135	1	20	ALA	HA	H	4.306	0.020	1
136	1	20	ALA	HB1	H	1.294	0.020	1
137	1	20	ALA	HB2	H	1.294	0.020	1
138	1	20	ALA	HB3	H	1.294	0.020	1
139	1	20	ALA	N	N	118.377	0.100	1
140	1	21	GLY	H	H	8.153	0.020	1
141	1	21	GLY	HA2	H	3.985	0.020	2
142	1	21	GLY	HA3	H	3.392	0.020	2
143	1	21	GLY	N	N	106.146	0.100	1
144	1	22	LYS	H	H	7.465	0.020	1
145	1	22	LYS	HA	H	4.256	0.020	1
146	1	22	LYS	HB2	H	1.534	0.020	2
147	1	22	LYS	HB3	H	1.393	0.020	2
148	1	22	LYS	HG2	H	1.221	0.020	2
149	1	22	LYS	HG3	H	1.135	0.020	2
150	1	22	LYS	HD2	H	1.453	0.020	1
151	1	22	LYS	HE2	H	2.790	0.020	1
152	1	22	LYS	N	N	119.270	0.100	1
153	1	23	ASP	H	H	8.430	0.020	1
154	1	23	ASP	HA	H	4.257	0.020	1
155	1	23	ASP	HB2	H	2.301	0.020	2
156	1	23	ASP	HB3	H	1.873	0.020	2
157	1	23	ASP	N	N	125.809	0.100	1
158	1	24	THR	H	H	8.556	0.020	1
159	1	24	THR	HA	H	4.019	0.020	1
160	1	24	THR	HB	H	2.503	0.020	1
161	1	24	THR	HG21	H	0.641	0.020	1
162	1	24	THR	HG22	H	0.641	0.020	1
163	1	24	THR	HG23	H	0.641	0.020	1
164	1	24	THR	N	N	120.580	0.100	1
165	1	25	PHE	H	H	8.053	0.020	1
166	1	25	PHE	HA	H	5.393	0.020	1
167	1	25	PHE	HB2	H	2.675	0.020	2
168	1	25	PHE	HB3	H	2.607	0.020	2
169	1	25	PHE	HD1	H	6.952	0.020	1
170	1	25	PHE	HD2	H	6.952	0.020	1
171	1	25	PHE	HE1	H	7.093	0.020	1
172	1	25	PHE	HE2	H	7.093	0.020	1
173	1	25	PHE	N	N	121.364	0.100	1
174	1	26	ILE	H	H	8.835	0.020	1
175	1	26	ILE	HA	H	4.526	0.020	1
176	1	26	ILE	HB	H	1.749	0.020	1
177	1	26	ILE	HG12	H	1.307	0.020	2
178	1	26	ILE	HG13	H	1.518	0.020	2
179	1	26	ILE	HG21	H	0.768	0.020	1
180	1	26	ILE	HG22	H	0.768	0.020	1
181	1	26	ILE	HG23	H	0.768	0.020	1
182	1	26	ILE	HD11	H	0.755	0.020	1
183	1	26	ILE	HD12	H	0.755	0.020	1
184	1	26	ILE	HD13	H	0.755	0.020	1
185	1	26	ILE	N	N	120.139	0.100	1
186	1	27	LYS	H	H	8.366	0.020	1
187	1	27	LYS	HA	H	4.171	0.020	1
188	1	27	LYS	HB2	H	1.690	0.020	2
189	1	27	LYS	HB3	H	1.933	0.020	2
190	1	27	LYS	HG2	H	1.558	0.020	1
191	1	27	LYS	HD2	H	1.657	0.020	1
192	1	27	LYS	HE2	H	2.971	0.020	2
193	1	27	LYS	HE3	H	2.889	0.020	2
194	1	27	LYS	N	N	126.491	0.100	1
195	1	28	CYS	H	H	8.152	0.020	1
196	1	28	CYS	HA	H	4.458	0.020	1
197	1	28	CYS	HB2	H	3.054	0.020	2
198	1	28	CYS	HB3	H	2.686	0.020	2
199	1	28	CYS	N	N	117.751	0.100	1
200	1	29	PRO	HA	H	4.275	0.020	1
201	1	29	PRO	HB2	H	2.333	0.020	2
202	1	29	PRO	HB3	H	1.587	0.020	2
203	1	29	PRO	HG2	H	2.148	0.020	2
204	1	29	PRO	HG3	H	2.092	0.020	2
205	1	29	PRO	HD2	H	3.653	0.020	2
206	1	29	PRO	HD3	H	3.561	0.020	2
207	1	30	LYS	H	H	8.079	0.020	1
208	1	30	LYS	HA	H	3.974	0.020	1
209	1	30	LYS	HB2	H	1.534	0.020	2
210	1	30	LYS	HB3	H	1.360	0.020	2
211	1	30	LYS	HG2	H	1.019	0.020	1
212	1	30	LYS	HD2	H	1.434	0.020	1
213	1	30	LYS	HE2	H	2.740	0.020	1
214	1	30	LYS	N	N	117.329	0.100	1
215	1	31	PHE	H	H	6.663	0.020	1
216	1	31	PHE	HA	H	4.495	0.020	1
217	1	31	PHE	HB2	H	3.325	0.020	2
218	1	31	PHE	HB3	H	2.580	0.020	2
219	1	31	PHE	HD1	H	7.198	0.020	1
220	1	31	PHE	HD2	H	7.198	0.020	1
221	1	31	PHE	HE1	H	7.360	0.020	1
222	1	31	PHE	HE2	H	7.360	0.020	1
223	1	31	PHE	N	N	116.194	0.100	1
224	1	32	ASP	H	H	8.707	0.020	1
225	1	32	ASP	HA	H	4.120	0.020	1
226	1	32	ASP	HB2	H	2.453	0.020	1
227	1	32	ASP	N	N	121.827	0.100	1
228	1	33	ASN	H	H	8.328	0.020	1
229	1	33	ASN	HA	H	4.488	0.020	1
230	1	33	ASN	HB2	H	2.883	0.020	2
231	1	33	ASN	HB3	H	2.688	0.020	2
232	1	33	ASN	HD21	H	7.476	0.020	1
233	1	33	ASN	HD22	H	6.778	0.020	1
234	1	33	ASN	N	N	112.566	0.100	1
235	1	33	ASN	ND2	N	111.696	0.100	1
236	1	34	LYS	H	H	7.494	0.020	1
237	1	34	LYS	HA	H	4.723	0.020	1
238	1	34	LYS	HB2	H	2.137	0.020	2
239	1	34	LYS	HB3	H	1.469	0.020	2
240	1	34	LYS	HG2	H	1.367	0.020	1
241	1	34	LYS	HD2	H	1.795	0.020	1
242	1	34	LYS	HE2	H	2.906	0.020	2
243	1	34	LYS	HE3	H	2.847	0.020	2
244	1	34	LYS	N	N	117.402	0.100	1
245	1	35	LYS	H	H	6.932	0.020	1
246	1	35	LYS	HA	H	4.451	0.020	1
247	1	35	LYS	HB2	H	1.628	0.020	1
248	1	35	LYS	HG2	H	0.812	0.020	1
249	1	35	LYS	HD2	H	1.381	0.020	1
250	1	35	LYS	HE2	H	2.721	0.020	1
251	1	35	LYS	N	N	116.835	0.100	1
252	1	36	CYS	H	H	8.407	0.020	1
253	1	36	CYS	HA	H	4.752	0.020	1
254	1	36	CYS	HB2	H	3.131	0.020	2
255	1	36	CYS	HB3	H	2.941	0.020	2
256	1	36	CYS	N	N	117.036	0.100	1
257	1	37	THR	H	H	9.843	0.020	1
258	1	37	THR	HA	H	4.091	0.020	1
259	1	37	THR	HG21	H	1.114	0.020	1
260	1	37	THR	HG22	H	1.114	0.020	1
261	1	37	THR	HG23	H	1.114	0.020	1
262	1	37	THR	N	N	121.630	0.100	1
263	1	38	LYS	H	H	7.204	0.020	1
264	1	38	LYS	HA	H	4.113	0.020	1
265	1	38	LYS	HB2	H	1.608	0.020	2
266	1	38	LYS	HB3	H	1.523	0.020	2
267	1	38	LYS	HG2	H	1.314	0.020	1
268	1	38	LYS	HD2	H	1.420	0.020	1
269	1	38	LYS	HE2	H	2.890	0.020	1
270	1	38	LYS	N	N	121.063	0.100	1
271	1	39	ASP	H	H	8.634	0.020	1
272	1	39	ASP	HA	H	4.503	0.020	1
273	1	39	ASP	HB2	H	2.438	0.020	2
274	1	39	ASP	HB3	H	2.395	0.020	2
275	1	39	ASP	N	N	124.476	0.100	1
276	1	40	ASN	H	H	9.261	0.020	1
277	1	40	ASN	HA	H	4.144	0.020	1
278	1	40	ASN	HB2	H	3.119	0.020	2
279	1	40	ASN	HB3	H	2.930	0.020	2
280	1	40	ASN	HD21	H	7.379	0.020	1
281	1	40	ASN	HD22	H	6.846	0.020	1
282	1	40	ASN	N	N	112.525	0.100	1
283	1	40	ASN	ND2	N	112.726	0.100	1
284	1	41	ASN	H	H	7.612	0.020	1
285	1	41	ASN	HA	H	4.625	0.020	1
286	1	41	ASN	HB2	H	3.270	0.020	2
287	1	41	ASN	HB3	H	2.865	0.020	2
288	1	41	ASN	HD21	H	7.727	0.020	1
289	1	41	ASN	HD22	H	6.112	0.020	1
290	1	41	ASN	N	N	119.110	0.100	1
291	1	41	ASN	ND2	N	110.459	0.100	1
292	1	42	LYS	H	H	8.473	0.020	1
293	1	42	LYS	HA	H	4.433	0.020	1
294	1	42	LYS	HB2	H	1.676	0.020	1
295	1	42	LYS	HG2	H	1.378	0.020	2
296	1	42	LYS	HG3	H	1.295	0.020	2
297	1	42	LYS	HD2	H	1.517	0.020	1
298	1	42	LYS	HE2	H	2.777	0.020	1
299	1	42	LYS	N	N	119.795	0.100	1
300	1	43	CYS	H	H	7.540	0.020	1
301	1	43	CYS	HA	H	5.199	0.020	1
302	1	43	CYS	HB2	H	3.621	0.020	2
303	1	43	CYS	HB3	H	2.922	0.020	2
304	1	43	CYS	N	N	114.061	0.100	1
305	1	44	THR	H	H	8.823	0.020	1
306	1	44	THR	HA	H	5.175	0.020	1
307	1	44	THR	HB	H	3.761	0.020	1
308	1	44	THR	HG21	H	0.991	0.020	1
309	1	44	THR	HG22	H	0.991	0.020	1
310	1	44	THR	HG23	H	0.991	0.020	1
311	1	44	THR	N	N	114.098	0.100	1
312	1	45	VAL	H	H	8.620	0.020	1
313	1	45	VAL	HA	H	4.406	0.020	1
314	1	45	VAL	HB	H	1.216	0.020	1
315	1	45	VAL	HG11	H	0.376	0.020	2
316	1	45	VAL	HG12	H	0.376	0.020	2
317	1	45	VAL	HG13	H	0.376	0.020	2
318	1	45	VAL	HG21	H	0.287	0.020	2
319	1	45	VAL	HG22	H	0.287	0.020	2
320	1	45	VAL	HG23	H	0.287	0.020	2
321	1	45	VAL	N	N	123.253	0.100	1
322	1	46	ASP	H	H	8.716	0.020	1
323	1	46	ASP	HA	H	5.309	0.020	1
324	1	46	ASP	HB2	H	3.157	0.020	2
325	1	46	ASP	HB3	H	2.246	0.020	2
326	1	46	ASP	N	N	126.290	0.100	1
327	1	47	THR	H	H	8.911	0.020	1
328	1	47	THR	HA	H	4.092	0.020	1
329	1	47	THR	HB	H	4.470	0.020	1
330	1	47	THR	HG21	H	1.163	0.020	1
331	1	47	THR	HG22	H	1.163	0.020	1
332	1	47	THR	HG23	H	1.163	0.020	1
333	1	47	THR	N	N	114.302	0.100	1
334	1	48	TYR	H	H	8.707	0.020	1
335	1	48	TYR	HA	H	4.313	0.020	1
336	1	48	TYR	HB2	H	2.901	0.020	1
337	1	48	TYR	HD1	H	6.940	0.020	1
338	1	48	TYR	HD2	H	6.940	0.020	1
339	1	48	TYR	HE1	H	6.659	0.020	1
340	1	48	TYR	HE2	H	6.659	0.020	1
341	1	48	TYR	N	N	122.552	0.100	1
342	1	49	ASN	H	H	7.565	0.020	1
343	1	49	ASN	HA	H	4.339	0.020	1
344	1	49	ASN	HB2	H	2.481	0.020	2
345	1	49	ASN	HB3	H	2.419	0.020	2
346	1	49	ASN	HD21	H	7.923	0.020	1
347	1	49	ASN	HD22	H	6.734	0.020	1
348	1	49	ASN	N	N	112.375	0.100	1
349	1	49	ASN	ND2	N	111.894	0.100	1
350	1	50	ASN	H	H	7.653	0.020	1
351	1	50	ASN	HA	H	4.132	0.020	1
352	1	50	ASN	HB2	H	2.963	0.020	2
353	1	50	ASN	HB3	H	2.504	0.020	2
354	1	50	ASN	HD21	H	7.267	0.020	1
355	1	50	ASN	HD22	H	6.474	0.020	1
356	1	50	ASN	N	N	115.482	0.100	1
357	1	50	ASN	ND2	N	109.712	0.100	1
358	1	51	ALA	H	H	7.686	0.020	1
359	1	51	ALA	HA	H	4.474	0.020	1
360	1	51	ALA	HB1	H	1.194	0.020	1
361	1	51	ALA	HB2	H	1.194	0.020	1
362	1	51	ALA	HB3	H	1.194	0.020	1
363	1	51	ALA	N	N	118.818	0.100	1
364	1	52	VAL	H	H	8.051	0.020	1
365	1	52	VAL	HA	H	4.771	0.020	1
366	1	52	VAL	HB	H	1.792	0.020	1
367	1	52	VAL	HG11	H	0.892	0.020	2
368	1	52	VAL	HG12	H	0.892	0.020	2
369	1	52	VAL	HG13	H	0.892	0.020	2
370	1	52	VAL	HG21	H	0.814	0.020	2
371	1	52	VAL	HG22	H	0.814	0.020	2
372	1	52	VAL	HG23	H	0.814	0.020	2
373	1	52	VAL	N	N	122.874	0.100	1
374	1	53	ASP	H	H	8.582	0.020	1
375	1	53	ASP	HA	H	4.832	0.020	1
376	1	53	ASP	HB2	H	2.482	0.020	2
377	1	53	ASP	HB3	H	2.284	0.020	2
378	1	53	ASP	N	N	125.141	0.100	1
379	1	54	CYS	H	H	7.858	0.020	1
380	1	54	CYS	HA	H	4.626	0.020	1
381	1	54	CYS	HB2	H	3.381	0.020	2
382	1	54	CYS	HB3	H	3.277	0.020	2
383	1	54	CYS	N	N	121.632	0.100	1
384	1	55	ASP	H	H	7.479	0.020	1
385	1	55	ASP	HA	H	4.529	0.020	1
386	1	55	ASP	HB2	H	2.647	0.020	2
387	1	55	ASP	HB3	H	2.523	0.020	2
388	1	55	ASP	N	N	124.843	0.100	1

Release date

2021-09-05

Citation

DMSO-Induced Unfolding of the Antifungal Disulfide Protein PAF and Its Inactive Variant: A Combined NMR and DSC Study
Czajlik, A., Batta, A., Kerner, K., Fizil, A., Hajdu, D., Raics, M., Kover, K.E., Batta, G.
Int. J. Mol. Sci. (2023), 24, 1208-1208, PubMed 36674720 , DOI 10.3390/ijms24021208 , Abstract

Related entities 1. Pc24g00380 protein, : 1 : 6 : 2 : 15 entities Detail

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 700 MHz

Sample

State isotropic, Solvent system 50% H2O/50% DMSO, Pressure 1 (±0.01) atm, Temperature 310 (±1) K, pH 4.5 (±0.05), Details 20 mM [U-100% 2H] acetic acid, 50 % v/v H2O, 50 % v/v [U-2H] DMSO, 1.7 mM [U-100% 15N] PAF, 50% H2O/50% DMSO

#	Name	Isotope labeling	Concentration
1	acetic acid	[U-100% 2H]	20 mM
2	H2O	natural abundance	50 % v/v
3	DMSO	[U-2H]	50 % v/v
4	PAF	[U-100% 15N]	1.7 mM

2 2D 1H-1H NOESY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	acetic acid	[U-100% 2H]	20 mM
2	H2O	natural abundance	50 % v/v
3	DMSO	[U-2H]	50 % v/v
4	PAF	[U-100% 15N]	1.7 mM

3 2D 1H-1H TOCSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	acetic acid	[U-100% 2H]	20 mM
2	H2O	natural abundance	50 % v/v
3	DMSO	[U-2H]	50 % v/v
4	PAF	[U-100% 15N]	1.7 mM

4 3D HNHA

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	acetic acid	[U-100% 2H]	20 mM
2	H2O	natural abundance	50 % v/v
3	DMSO	[U-2H]	50 % v/v
4	PAF	[U-100% 15N]	1.7 mM

5 3D HNHB

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	acetic acid	[U-100% 2H]	20 mM
2	H2O	natural abundance	50 % v/v
3	DMSO	[U-2H]	50 % v/v
4	PAF	[U-100% 15N]	1.7 mM

6 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	acetic acid	[U-100% 2H]	20 mM
2	H2O	natural abundance	50 % v/v
3	DMSO	[U-2H]	50 % v/v
4	PAF	[U-100% 15N]	1.7 mM

7 3D 1H-15N TOCSY

Instrument

Bruker AVANCE III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	acetic acid	[U-100% 2H]	20 mM
2	H2O	natural abundance	50 % v/v
3	DMSO	[U-2H]	50 % v/v
4	PAF	[U-100% 15N]	1.7 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34655_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:7:CYS:SG	1:36:CYS:SG	unknown	unknown	n/a
1:14:CYS:SG	1:43:CYS:SG	unknown	unknown	n/a
1:28:CYS:SG	1:54:CYS:SG	unknown	unknown	n/a

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr34655_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	388		100.0 (chain: 1, length: 55)
1	Chemical shift references	chem_shift_reference_1	OK	2		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 55, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 328
  - ¹⁵N chemical shifts: 60
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	339	298	87.9
¹⁵N chemical shifts	61	60	98.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	111	110	99.1
¹⁵N chemical shifts	54	53	98.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	228	188	82.5
¹⁵N chemical shifts	7	7	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	15	15	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	22	20	90.9

Keywords ANTIMICROBIAL PROTEIN, DISULPHIDE PROTEIN, PAF, SOLUTION STRUCTURE, STRUCTURE FROM CYANA 2.1

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Found 1 Document (0.356 seconds)

BMRB: 34655

Related entities 1. Pc24g00380 protein, : 1 : 6 : 2 : 15 entities Detail

Experiments performed 7 experiments Detail

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Chemical shift validation 3 contents Detail