BMRB: 31158

Backbone Modification in the GA Module of Protein PAB: beta3-residues at positions 20 and 24

Authors

Lin, Y., Horne, W.S.

Assembly

Peptostreptococcal albumin-binding protein

Entity

1. Peptostreptococcal albumin-binding protein (polymer, Thiol state: not present), 48 monomers, 5199.926 Da Detail

LKNAKEDAIA ELKKAGITSX FYFXAINKAK TVEEVNALKN EILKAHAX

Formula weight

5199.926 Da

Source organism

Finegoldia magna

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 354 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	LEU	HA	H	4.250		1
2	1	1	LEU	HB2	H	1.595		2
3	1	1	LEU	HB3	H	1.595		2
4	1	1	LEU	HG	H	1.685		1
5	1	1	LEU	HD11	H	0.895		2
6	1	1	LEU	HD12	H	0.895		2
7	1	1	LEU	HD13	H	0.895		2
8	1	1	LEU	HD21	H	0.940		2
9	1	1	LEU	HD22	H	0.940		2
10	1	1	LEU	HD23	H	0.940		2
11	1	2	LYS	HA	H	4.233		1
12	1	2	LYS	HB2	H	1.824		2
13	1	2	LYS	HB3	H	1.824		2
14	1	2	LYS	HG2	H	1.490		2
15	1	2	LYS	HG3	H	1.490		2
16	1	2	LYS	HD2	H	1.680		2
17	1	2	LYS	HD3	H	1.680		2
18	1	2	LYS	HE2	H	2.979		2
19	1	2	LYS	HE3	H	2.979		2
20	1	3	ASN	H	H	8.666		1
21	1	3	ASN	HA	H	4.656		1
22	1	3	ASN	HB2	H	2.975		2
23	1	3	ASN	HB3	H	2.841		2
24	1	3	ASN	HD21	H	7.154		2
25	1	3	ASN	HD22	H	7.789		2
26	1	4	ALA	H	H	8.710		1
27	1	4	ALA	HA	H	4.165		1
28	1	4	ALA	HB1	H	1.598		1
29	1	4	ALA	HB2	H	1.598		1
30	1	4	ALA	HB3	H	1.598		1
31	1	5	LYS	H	H	8.138		1
32	1	5	LYS	HA	H	3.725		1
33	1	5	LYS	HB2	H	1.973		2
34	1	5	LYS	HB3	H	1.973		2
35	1	5	LYS	HG2	H	1.386		2
36	1	5	LYS	HG3	H	1.315		2
37	1	5	LYS	HD2	H	1.899		2
38	1	5	LYS	HD3	H	1.727		2
39	1	5	LYS	HE2	H	3.327		2
40	1	5	LYS	HE3	H	2.683		2
41	1	6	GLU	H	H	8.021		1
42	1	6	GLU	HA	H	3.847		1
43	1	6	GLU	HB2	H	2.021		2
44	1	6	GLU	HB3	H	1.988		2
45	1	6	GLU	HG2	H	2.426		2
46	1	6	GLU	HG3	H	2.260		2
47	1	7	ASP	H	H	8.622		1
48	1	7	ASP	HA	H	4.394		1
49	1	7	ASP	HB2	H	2.660		2
50	1	7	ASP	HB3	H	2.660		2
51	1	8	ALA	H	H	7.974		1
52	1	8	ALA	HA	H	4.063		1
53	1	8	ALA	HB1	H	1.442		1
54	1	8	ALA	HB2	H	1.442		1
55	1	8	ALA	HB3	H	1.442		1
56	1	9	ILE	H	H	8.151		1
57	1	9	ILE	HA	H	3.181		1
58	1	9	ILE	HB	H	1.577		1
59	1	9	ILE	HG12	H	1.755		2
60	1	9	ILE	HG13	H	0.610		2
61	1	9	ILE	HG21	H	0.055		1
62	1	9	ILE	HG22	H	0.055		1
63	1	9	ILE	HG23	H	0.055		1
64	1	9	ILE	HD11	H	0.769		1
65	1	9	ILE	HD12	H	0.769		1
66	1	9	ILE	HD13	H	0.769		1
67	1	10	ALA	H	H	8.009		1
68	1	10	ALA	HA	H	3.971		1
69	1	10	ALA	HB1	H	1.495		1
70	1	10	ALA	HB2	H	1.495		1
71	1	10	ALA	HB3	H	1.495		1
72	1	11	GLU	H	H	8.128		1
73	1	11	GLU	HA	H	3.964		1
74	1	11	GLU	HB2	H	2.185		2
75	1	11	GLU	HB3	H	2.079		2
76	1	11	GLU	HG2	H	2.432		2
77	1	11	GLU	HG3	H	2.432		2
78	1	12	LEU	H	H	8.385		1
79	1	12	LEU	HA	H	4.018		1
80	1	12	LEU	HB2	H	2.279		2
81	1	12	LEU	HB3	H	1.486		2
82	1	12	LEU	HG	H	2.077		1
83	1	12	LEU	HD11	H	0.884		2
84	1	12	LEU	HD12	H	0.884		2
85	1	12	LEU	HD13	H	0.884		2
86	1	12	LEU	HD21	H	0.918		2
87	1	12	LEU	HD22	H	0.918		2
88	1	12	LEU	HD23	H	0.918		2
89	1	13	LYS	H	H	8.726		1
90	1	13	LYS	HA	H	4.379		1
91	1	13	LYS	HB2	H	1.830		2
92	1	13	LYS	HB3	H	1.830		2
93	1	13	LYS	HG2	H	1.591		2
94	1	13	LYS	HG3	H	1.591		2
95	1	13	LYS	HD2	H	1.508		2
96	1	13	LYS	HD3	H	1.508		2
97	1	13	LYS	HE2	H	2.856		2
98	1	13	LYS	HE3	H	2.477		2
99	1	14	LYS	H	H	8.087		1
100	1	14	LYS	HA	H	4.074		1
101	1	14	LYS	HB2	H	1.991		2
102	1	14	LYS	HB3	H	1.931		2
103	1	14	LYS	HG2	H	1.593		2
104	1	14	LYS	HG3	H	1.593		2
105	1	14	LYS	HD2	H	1.696		2
106	1	14	LYS	HD3	H	1.696		2
107	1	14	LYS	HE2	H	2.968		2
108	1	14	LYS	HE3	H	2.968		2
109	1	15	ALA	H	H	7.456		1
110	1	15	ALA	HA	H	4.430		1
111	1	15	ALA	HB1	H	1.523		1
112	1	15	ALA	HB2	H	1.523		1
113	1	15	ALA	HB3	H	1.523		1
114	1	16	GLY	H	H	7.867		1
115	1	16	GLY	HA2	H	4.356		2
116	1	16	GLY	HA3	H	3.714		2
117	1	17	ILE	H	H	8.055		1
118	1	17	ILE	HA	H	3.985		1
119	1	17	ILE	HB	H	1.753		1
120	1	17	ILE	HG12	H	1.037		1
121	1	17	ILE	HG13	H	0.723		1
122	1	17	ILE	HG21	H	0.810		1
123	1	17	ILE	HG22	H	0.810		1
124	1	17	ILE	HG23	H	0.810		1
125	1	17	ILE	HD11	H	0.588		1
126	1	17	ILE	HD12	H	0.588		1
127	1	17	ILE	HD13	H	0.588		1
128	1	18	THR	H	H	8.470		1
129	1	18	THR	HA	H	4.594		1
130	1	18	THR	HB	H	4.410		1
131	1	18	THR	HG21	H	1.175		1
132	1	18	THR	HG22	H	1.175		1
133	1	18	THR	HG23	H	1.175		1
134	1	19	SER	H	H	6.131		1
135	1	19	SER	HA	H	4.203		1
136	1	19	SER	HB2	H	3.593		2
137	1	19	SER	HB3	H	3.410		2
138	1	20	B3D	H	H	8.286		1
139	1	20	B3D	HA	H	4.194		1
140	1	20	B3D	HB1	H	2.370		2
141	1	20	B3D	HB2	H	2.590		2
142	1	20	B3D	HG2	H	2.485		2
143	1	20	B3D	HG3	H	2.485		2
144	1	21	PHE	H	H	8.295		1
145	1	21	PHE	HA	H	4.049		1
146	1	21	PHE	HB2	H	3.006		2
147	1	21	PHE	HB3	H	2.510		2
148	1	21	PHE	HD1	H	6.661		3
149	1	21	PHE	HD2	H	6.661		3
150	1	21	PHE	HE1	H	7.134		3
151	1	21	PHE	HE2	H	7.134		3
152	1	21	PHE	HZ	H	7.200		1
153	1	22	TYR	H	H	7.949		1
154	1	22	TYR	HA	H	4.536		1
155	1	22	TYR	HB2	H	2.949		2
156	1	22	TYR	HB3	H	2.828		2
157	1	22	TYR	HD1	H	7.049		3
158	1	22	TYR	HD2	H	7.049		3
159	1	22	TYR	HE1	H	6.955		3
160	1	22	TYR	HE2	H	6.955		3
161	1	23	PHE	H	H	8.239		1
162	1	23	PHE	HA	H	4.513		1
163	1	23	PHE	HB2	H	3.334		2
164	1	23	PHE	HB3	H	3.248		2
165	1	23	PHE	HD1	H	7.076		3
166	1	23	PHE	HD2	H	7.076		3
167	1	23	PHE	HE1	H	7.211		3
168	1	23	PHE	HE2	H	7.211		3
169	1	23	PHE	HZ	H	7.329		1
170	1	24	B3X	H	H	8.308		1
171	1	24	B3X	HA	H	4.641		1
172	1	24	B3X	HB1	H	2.248		2
173	1	24	B3X	HB2	H	2.455		2
174	1	24	B3X	HE21	H	7.165		2
175	1	24	B3X	HE22	H	7.873		2
176	1	24	B3X	HG2	H	2.518		2
177	1	24	B3X	HG3	H	2.729		2
178	1	25	ALA	H	H	7.587		1
179	1	25	ALA	HA	H	3.832		1
180	1	25	ALA	HB1	H	1.528		1
181	1	25	ALA	HB2	H	1.528		1
182	1	25	ALA	HB3	H	1.528		1
183	1	26	ILE	H	H	8.578		1
184	1	26	ILE	HA	H	3.655		1
185	1	26	ILE	HB	H	2.406		1
186	1	26	ILE	HG12	H	1.646		2
187	1	26	ILE	HG13	H	1.473		2
188	1	26	ILE	HG21	H	0.970		1
189	1	26	ILE	HG22	H	0.970		1
190	1	26	ILE	HG23	H	0.970		1
191	1	26	ILE	HD11	H	0.789		1
192	1	26	ILE	HD12	H	0.789		1
193	1	26	ILE	HD13	H	0.789		1
194	1	27	ASN	H	H	8.090		1
195	1	27	ASN	HA	H	4.582		1
196	1	27	ASN	HB2	H	2.927		2
197	1	27	ASN	HB3	H	2.792		2
198	1	27	ASN	HD21	H	6.717		2
199	1	27	ASN	HD22	H	7.332		2
200	1	28	LYS	H	H	8.045		1
201	1	28	LYS	HA	H	4.249		1
202	1	28	LYS	HB2	H	1.853		2
203	1	28	LYS	HB3	H	1.773		2
204	1	28	LYS	HG2	H	1.532		2
205	1	28	LYS	HG3	H	1.532		2
206	1	28	LYS	HD2	H	1.562		2
207	1	28	LYS	HD3	H	1.562		2
208	1	28	LYS	HE2	H	2.897		2
209	1	28	LYS	HE3	H	2.897		2
210	1	29	ALA	H	H	7.460		1
211	1	29	ALA	HA	H	4.172		1
212	1	29	ALA	HB1	H	1.520		1
213	1	29	ALA	HB2	H	1.520		1
214	1	29	ALA	HB3	H	1.520		1
215	1	30	LYS	H	H	8.790		1
216	1	30	LYS	HA	H	4.357		1
217	1	30	LYS	HB2	H	2.011		2
218	1	30	LYS	HB3	H	1.978		2
219	1	30	LYS	HG2	H	1.709		2
220	1	30	LYS	HG3	H	1.546		2
221	1	30	LYS	HD2	H	1.764		2
222	1	30	LYS	HD3	H	1.764		2
223	1	30	LYS	HE2	H	3.083		2
224	1	30	LYS	HE3	H	3.083		2
225	1	31	THR	H	H	7.337		1
226	1	31	THR	HA	H	4.880		1
227	1	31	THR	HB	H	4.740		1
228	1	31	THR	HG21	H	1.263		1
229	1	31	THR	HG22	H	1.263		1
230	1	31	THR	HG23	H	1.263		1
231	1	32	VAL	H	H	9.047		1
232	1	32	VAL	HA	H	3.509		1
233	1	32	VAL	HB	H	2.057		1
234	1	32	VAL	HG11	H	0.958		2
235	1	32	VAL	HG12	H	0.958		2
236	1	32	VAL	HG13	H	0.958		2
237	1	32	VAL	HG21	H	1.064		2
238	1	32	VAL	HG22	H	1.064		2
239	1	32	VAL	HG23	H	1.064		2
240	1	33	GLU	H	H	8.860		1
241	1	33	GLU	HA	H	4.059		1
242	1	33	GLU	HB2	H	2.139		2
243	1	33	GLU	HB3	H	1.957		2
244	1	33	GLU	HG2	H	2.515		2
245	1	33	GLU	HG3	H	2.298		2
246	1	34	GLU	H	H	8.052		1
247	1	34	GLU	HA	H	4.130		1
248	1	34	GLU	HB2	H	2.213		2
249	1	34	GLU	HB3	H	2.213		2
250	1	34	GLU	HG2	H	2.476		2
251	1	34	GLU	HG3	H	2.293		2
252	1	35	VAL	H	H	7.995		1
253	1	35	VAL	HA	H	3.323		1
254	1	35	VAL	HB	H	2.341		1
255	1	35	VAL	HG11	H	0.805		2
256	1	35	VAL	HG12	H	0.805		2
257	1	35	VAL	HG13	H	0.805		2
258	1	35	VAL	HG21	H	1.054		2
259	1	35	VAL	HG22	H	1.054		2
260	1	35	VAL	HG23	H	1.054		2
261	1	36	ASN	H	H	8.400		1
262	1	36	ASN	HA	H	4.347		1
263	1	36	ASN	HB2	H	2.812		2
264	1	36	ASN	HB3	H	2.775		2
265	1	36	ASN	HD21	H	6.991		2
266	1	36	ASN	HD22	H	7.683		2
267	1	37	ALA	H	H	8.183		1
268	1	37	ALA	HA	H	4.206		1
269	1	37	ALA	HB1	H	1.544		1
270	1	37	ALA	HB2	H	1.544		1
271	1	37	ALA	HB3	H	1.544		1
272	1	38	LEU	H	H	8.303		1
273	1	38	LEU	HA	H	4.136		1
274	1	38	LEU	HB2	H	1.989		2
275	1	38	LEU	HB3	H	1.374		2
276	1	38	LEU	HG	H	1.811		1
277	1	38	LEU	HD11	H	0.882		2
278	1	38	LEU	HD12	H	0.882		2
279	1	38	LEU	HD13	H	0.882		2
280	1	38	LEU	HD21	H	0.927		2
281	1	38	LEU	HD22	H	0.927		2
282	1	38	LEU	HD23	H	0.927		2
283	1	39	LYS	H	H	8.677		1
284	1	39	LYS	HA	H	3.753		1
285	1	39	LYS	HB2	H	2.021		2
286	1	39	LYS	HB3	H	2.021		2
287	1	39	LYS	HG2	H	1.510		2
288	1	39	LYS	HG3	H	1.300		2
289	1	39	LYS	HD2	H	1.798		2
290	1	39	LYS	HD3	H	1.536		2
291	1	39	LYS	HE2	H	2.952		2
292	1	39	LYS	HE3	H	2.764		2
293	1	40	ASN	H	H	8.144		1
294	1	40	ASN	HA	H	4.470		1
295	1	40	ASN	HB2	H	2.907		2
296	1	40	ASN	HB3	H	2.758		2
297	1	40	ASN	HD21	H	6.993		2
298	1	40	ASN	HD22	H	7.550		2
299	1	41	GLU	H	H	8.175		1
300	1	41	GLU	HA	H	4.065		1
301	1	41	GLU	HB2	H	2.245		2
302	1	41	GLU	HB3	H	2.200		2
303	1	41	GLU	HG2	H	2.353		2
304	1	41	GLU	HG3	H	2.353		2
305	1	42	ILE	H	H	8.460		1
306	1	42	ILE	HA	H	3.630		1
307	1	42	ILE	HB	H	1.570		1
308	1	42	ILE	HG12	H	1.654		2
309	1	42	ILE	HG13	H	0.283		2
310	1	42	ILE	HG21	H	0.538		1
311	1	42	ILE	HG22	H	0.538		1
312	1	42	ILE	HG23	H	0.538		1
313	1	42	ILE	HD11	H	0.573		1
314	1	42	ILE	HD12	H	0.573		1
315	1	42	ILE	HD13	H	0.573		1
316	1	43	LEU	H	H	8.257		1
317	1	43	LEU	HA	H	3.967		1
318	1	43	LEU	HB2	H	1.922		2
319	1	43	LEU	HB3	H	1.496		2
320	1	43	LEU	HG	H	1.741		1
321	1	43	LEU	HD11	H	0.804		2
322	1	43	LEU	HD12	H	0.804		2
323	1	43	LEU	HD13	H	0.804		2
324	1	43	LEU	HD21	H	0.860		2
325	1	43	LEU	HD22	H	0.860		2
326	1	43	LEU	HD23	H	0.860		2
327	1	44	LYS	H	H	8.014		1
328	1	44	LYS	HA	H	4.082		1
329	1	44	LYS	HB2	H	1.922		2
330	1	44	LYS	HB3	H	1.922		2
331	1	44	LYS	HG2	H	1.431		2
332	1	44	LYS	HG3	H	1.431		2
333	1	44	LYS	HD2	H	1.687		2
334	1	44	LYS	HD3	H	1.687		2
335	1	44	LYS	HE2	H	2.971		2
336	1	44	LYS	HE3	H	2.971		2
337	1	45	ALA	H	H	7.950		1
338	1	45	ALA	HA	H	4.208		1
339	1	45	ALA	HB1	H	1.493		1
340	1	45	ALA	HB2	H	1.493		1
341	1	45	ALA	HB3	H	1.493		1
342	1	46	HIS	H	H	8.063		1
343	1	46	HIS	HA	H	4.536		1
344	1	46	HIS	HB2	H	3.389		2
345	1	46	HIS	HB3	H	3.091		2
346	1	46	HIS	HD2	H	7.360		1
347	1	46	HIS	HE1	H	8.411		1
348	1	47	ALA	H	H	7.823		1
349	1	47	ALA	HA	H	4.226		1
350	1	47	ALA	HB1	H	1.508		1
351	1	47	ALA	HB2	H	1.508		1
352	1	47	ALA	HB3	H	1.508		1
353	1	48	NH2	HN1	H	7.214		2
354	1	48	NH2	HN2	H	7.337		2

Release date

2024-04-11

Citation

Backbone Modification in a Protein Hydrophobic Core
Lin, Y., Horne, W.S.
Chemistry (2024), PubMed , DOI:

Related entities 1. Peptostreptococcal albumin-binding protein, : 1 : 12 : 12 entities Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail