BMRB: 31159

Backbone Modification in the GA Module of Protein PAB: beta3-residues at positions 22 and 26

Authors

Lin, Y., Horne, W.S.

Assembly

Peptostreptococcal albumin-binding protein

Entity

1. Peptostreptococcal albumin-binding protein (polymer, Thiol state: not present), 48 monomers, 5199.927 Da Detail

LKNAKEDAIA ELKKAGITSD FXFNAXNKAK TVEEVNALKN EILKAHAX

Formula weight

5199.927 Da

Source organism

Finegoldia magna

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 343 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	4.255		1
2	1	1	LEU	HB2	H	1.736		2
3	1	1	LEU	HB3	H	1.736		2
4	1	1	LEU	HG	H	1.708		1
5	1	1	LEU	HD11	H	0.879		2
6	1	1	LEU	HD12	H	0.879		2
7	1	1	LEU	HD13	H	0.879		2
8	1	1	LEU	HD21	H	0.925		2
9	1	1	LEU	HD22	H	0.925		2
10	1	1	LEU	HD23	H	0.925		2
11	1	2	LYS	HA	H	4.234		1
12	1	2	LYS	HB2	H	1.825		2
13	1	2	LYS	HB3	H	1.825		2
14	1	2	LYS	HG2	H	1.399		2
15	1	2	LYS	HG3	H	1.399		2
16	1	2	LYS	HD2	H	1.690		2
17	1	2	LYS	HD3	H	1.690		2
18	1	2	LYS	HE2	H	2.987		2
19	1	2	LYS	HE3	H	2.987		2
20	1	3	ASN	H	H	8.585		1
21	1	3	ASN	HA	H	4.679		1
22	1	3	ASN	HB2	H	2.970		2
23	1	3	ASN	HB3	H	2.824		2
24	1	3	ASN	HD21	H	7.020		2
25	1	3	ASN	HD22	H	7.713		2
26	1	4	ALA	H	H	8.402		1
27	1	4	ALA	HA	H	4.180		1
28	1	4	ALA	HB1	H	1.503		1
29	1	4	ALA	HB2	H	1.503		1
30	1	4	ALA	HB3	H	1.503		1
31	1	5	LYS	H	H	8.302		1
32	1	5	LYS	HA	H	3.844		1
33	1	5	LYS	HB2	H	1.997		2
34	1	5	LYS	HB3	H	1.821		2
35	1	5	LYS	HG2	H	1.567		2
36	1	5	LYS	HG3	H	1.226		2
37	1	5	LYS	HD2	H	1.684		2
38	1	5	LYS	HD3	H	1.632		2
39	1	5	LYS	HE2	H	2.938		2
40	1	5	LYS	HE3	H	2.891		2
41	1	6	GLU	H	H	8.079		1
42	1	6	GLU	HA	H	3.943		1
43	1	6	GLU	HB2	H	2.078		2
44	1	6	GLU	HB3	H	2.046		2
45	1	6	GLU	HG2	H	2.423		2
46	1	6	GLU	HG3	H	2.324		2
47	1	7	ASP	H	H	8.449		1
48	1	7	ASP	HA	H	4.418		1
49	1	7	ASP	HB2	H	2.670		2
50	1	7	ASP	HB3	H	2.670		2
51	1	8	ALA	H	H	7.894		1
52	1	8	ALA	HA	H	4.054		1
53	1	8	ALA	HB1	H	1.386		1
54	1	8	ALA	HB2	H	1.386		1
55	1	8	ALA	HB3	H	1.386		1
56	1	9	ILE	H	H	8.329		1
57	1	9	ILE	HA	H	3.940		1
58	1	9	ILE	HB	H	2.066		1
59	1	9	ILE	HG21	H	0.984		1
60	1	9	ILE	HG22	H	0.984		1
61	1	9	ILE	HG23	H	0.984		1
62	1	9	ILE	HD11	H	0.939		1
63	1	9	ILE	HD12	H	0.939		1
64	1	9	ILE	HD13	H	0.939		1
65	1	10	ALA	H	H	8.005		1
66	1	10	ALA	HA	H	4.062		1
67	1	10	ALA	HB1	H	1.542		1
68	1	10	ALA	HB2	H	1.542		1
69	1	10	ALA	HB3	H	1.542		1
70	1	11	GLU	H	H	7.901		1
71	1	11	GLU	HA	H	3.954		1
72	1	11	GLU	HB2	H	2.160		2
73	1	11	GLU	HB3	H	2.057		2
74	1	11	GLU	HG2	H	2.430		2
75	1	11	GLU	HG3	H	2.430		2
76	1	12	LEU	H	H	8.070		1
77	1	12	LEU	HA	H	3.896		1
78	1	12	LEU	HB2	H	1.727		2
79	1	12	LEU	HB3	H	1.657		2
80	1	12	LEU	HG	H	1.867		1
81	1	12	LEU	HD11	H	0.769		2
82	1	12	LEU	HD12	H	0.769		2
83	1	12	LEU	HD13	H	0.769		2
84	1	12	LEU	HD21	H	0.901		2
85	1	12	LEU	HD22	H	0.901		2
86	1	12	LEU	HD23	H	0.901		2
87	1	13	LYS	H	H	8.479		1
88	1	13	LYS	HA	H	4.073		1
89	1	13	LYS	HB2	H	1.891		2
90	1	13	LYS	HB3	H	1.891		2
91	1	13	LYS	HG2	H	1.458		2
92	1	13	LYS	HG3	H	1.458		2
93	1	13	LYS	HD2	H	1.642		2
94	1	13	LYS	HD3	H	1.642		2
95	1	13	LYS	HE2	H	2.957		2
96	1	13	LYS	HE3	H	2.957		2
97	1	14	LYS	H	H	8.117		1
98	1	14	LYS	HA	H	4.055		1
99	1	14	LYS	HB2	H	1.936		2
100	1	14	LYS	HB3	H	1.936		2
101	1	14	LYS	HG2	H	1.576		2
102	1	14	LYS	HG3	H	1.576		2
103	1	14	LYS	HD2	H	1.690		2
104	1	14	LYS	HD3	H	1.690		2
105	1	14	LYS	HE2	H	2.968		2
106	1	14	LYS	HE3	H	2.968		2
107	1	15	ALA	H	H	7.472		1
108	1	15	ALA	HA	H	4.373		1
109	1	15	ALA	HB1	H	1.486		1
110	1	15	ALA	HB2	H	1.486		1
111	1	15	ALA	HB3	H	1.486		1
112	1	16	GLY	H	H	7.881		1
113	1	16	GLY	HA2	H	4.194		2
114	1	16	GLY	HA3	H	3.742		2
115	1	17	ILE	H	H	7.748		1
116	1	17	ILE	HA	H	4.037		1
117	1	17	ILE	HB	H	1.752		1
118	1	17	ILE	HG12	H	1.217		2
119	1	17	ILE	HG13	H	0.852		2
120	1	17	ILE	HG21	H	0.903		1
121	1	17	ILE	HG22	H	0.903		1
122	1	17	ILE	HG23	H	0.903		1
123	1	17	ILE	HD11	H	0.641		1
124	1	17	ILE	HD12	H	0.641		1
125	1	17	ILE	HD13	H	0.641		1
126	1	18	THR	H	H	8.284		1
127	1	18	THR	HA	H	4.443		1
128	1	18	THR	HB	H	4.479		1
129	1	18	THR	HG21	H	1.276		1
130	1	18	THR	HG22	H	1.276		1
131	1	18	THR	HG23	H	1.276		1
132	1	19	SER	HA	H	3.807		1
133	1	19	SER	HB2	H	3.655		2
134	1	19	SER	HB3	H	3.655		2
135	1	20	ASP	H	H	6.549		1
136	1	20	ASP	HA	H	4.513		1
137	1	20	ASP	HB2	H	2.654		2
138	1	20	ASP	HB3	H	2.574		2
139	1	21	PHE	H	H	8.142		1
140	1	21	PHE	HA	H	4.139		1
141	1	21	PHE	HB2	H	3.265		2
142	1	21	PHE	HB3	H	3.036		2
143	1	21	PHE	HD1	H	7.359		3
144	1	21	PHE	HD2	H	7.359		3
145	1	21	PHE	HE1	H	7.443		3
146	1	21	PHE	HE2	H	7.443		3
147	1	22	B3Y	H	H	7.950		1
148	1	22	B3Y	HA	H	4.292		1
149	1	22	B3Y	HB1	H	2.423		2
150	1	22	B3Y	HB2	H	2.500		2
151	1	22	B3Y	HE1	H	7.027		3
152	1	22	B3Y	HE2	H	7.027		3
153	1	22	B3Y	HF1	H	6.809		3
154	1	22	B3Y	HF2	H	6.809		3
155	1	22	B3Y	HG2	H	2.834		2
156	1	22	B3Y	HG3	H	2.834		2
157	1	23	PHE	H	H	7.722		1
158	1	23	PHE	HA	H	4.304		1
159	1	23	PHE	HB2	H	2.678		2
160	1	23	PHE	HB3	H	2.678		2
161	1	23	PHE	HD1	H	7.137		3
162	1	23	PHE	HD2	H	7.137		3
163	1	23	PHE	HE1	H	7.310		3
164	1	23	PHE	HE2	H	7.310		3
165	1	24	ASN	HA	H	4.498		1
166	1	24	ASN	HB2	H	2.808		2
167	1	24	ASN	HB3	H	2.752		2
168	1	24	ASN	HD21	H	6.985		2
169	1	24	ASN	HD22	H	7.589		2
170	1	25	ALA	H	H	7.542		1
171	1	25	ALA	HA	H	4.095		1
172	1	25	ALA	HB1	H	1.482		1
173	1	25	ALA	HB2	H	1.482		1
174	1	25	ALA	HB3	H	1.482		1
175	1	26	BIL	H	H	7.370		1
176	1	26	BIL	H1D1	H	1.027		1
177	1	26	BIL	H1D2	H	0.895		1
178	1	26	BIL	H1E1	H	0.772		1
179	1	26	BIL	H2D1	H	1.542		1
180	1	26	BIL	HA	H	2.241		1
181	1	26	BIL	HAA	H	2.482		1
182	1	26	BIL	HB	H	3.945		1
183	1	26	BIL	HG	H	1.415		1
184	1	27	ASN	H	H	8.237		1
185	1	27	ASN	HA	H	4.288		1
186	1	27	ASN	HB2	H	2.952		2
187	1	27	ASN	HB3	H	2.878		2
188	1	27	ASN	HD21	H	6.875		2
189	1	27	ASN	HD22	H	7.663		2
190	1	28	LYS	H	H	7.645		1
191	1	28	LYS	HA	H	4.097		1
192	1	28	LYS	HB2	H	1.947		2
193	1	28	LYS	HB3	H	1.947		2
194	1	28	LYS	HG2	H	1.626		2
195	1	28	LYS	HG3	H	1.479		2
196	1	28	LYS	HD2	H	1.662		2
197	1	28	LYS	HD3	H	1.662		2
198	1	28	LYS	HE2	H	2.979		2
199	1	28	LYS	HE3	H	2.979		2
200	1	29	ALA	H	H	7.383		1
201	1	29	ALA	HA	H	4.345		1
202	1	29	ALA	HB1	H	1.392		1
203	1	29	ALA	HB2	H	1.392		1
204	1	29	ALA	HB3	H	1.392		1
205	1	30	LYS	H	H	8.966		1
206	1	30	LYS	HA	H	4.410		1
207	1	30	LYS	HB2	H	1.962		2
208	1	30	LYS	HB3	H	1.962		2
209	1	30	LYS	HG2	H	1.641		2
210	1	30	LYS	HG3	H	1.525		2
211	1	30	LYS	HD2	H	1.742		2
212	1	30	LYS	HD3	H	1.742		2
213	1	30	LYS	HE2	H	3.072		2
214	1	30	LYS	HE3	H	3.072		2
215	1	31	THR	H	H	7.411		1
216	1	31	THR	HA	H	4.815		1
217	1	31	THR	HB	H	4.730		1
218	1	31	THR	HG21	H	1.254		1
219	1	31	THR	HG22	H	1.254		1
220	1	31	THR	HG23	H	1.254		1
221	1	32	VAL	H	H	8.938		1
222	1	32	VAL	HA	H	3.518		1
223	1	32	VAL	HB	H	2.058		1
224	1	32	VAL	HG11	H	0.957		2
225	1	32	VAL	HG12	H	0.957		2
226	1	32	VAL	HG13	H	0.957		2
227	1	32	VAL	HG21	H	1.063		2
228	1	32	VAL	HG22	H	1.063		2
229	1	32	VAL	HG23	H	1.063		2
230	1	33	GLU	H	H	8.736		1
231	1	33	GLU	HA	H	4.072		1
232	1	33	GLU	HB2	H	2.111		2
233	1	33	GLU	HB3	H	1.964		2
234	1	33	GLU	HG2	H	2.477		2
235	1	33	GLU	HG3	H	2.294		2
236	1	34	GLU	H	H	7.982		1
237	1	34	GLU	HA	H	4.135		1
238	1	34	GLU	HB2	H	2.172		2
239	1	34	GLU	HB3	H	2.172		2
240	1	34	GLU	HG2	H	2.474		2
241	1	34	GLU	HG3	H	2.316		2
242	1	35	VAL	H	H	8.136		1
243	1	35	VAL	HA	H	3.299		1
244	1	35	VAL	HB	H	2.337		1
245	1	35	VAL	HG11	H	0.779		2
246	1	35	VAL	HG12	H	0.779		2
247	1	35	VAL	HG13	H	0.779		2
248	1	35	VAL	HG21	H	0.967		2
249	1	35	VAL	HG22	H	0.967		2
250	1	35	VAL	HG23	H	0.967		2
251	1	36	ASN	H	H	8.204		1
252	1	36	ASN	HA	H	4.330		1
253	1	36	ASN	HB2	H	2.807		2
254	1	36	ASN	HB3	H	2.774		2
255	1	36	ASN	HD21	H	6.908		2
256	1	36	ASN	HD22	H	7.586		2
257	1	37	ALA	H	H	8.134		1
258	1	37	ALA	HA	H	4.202		1
259	1	37	ALA	HB1	H	1.540		1
260	1	37	ALA	HB2	H	1.540		1
261	1	37	ALA	HB3	H	1.540		1
262	1	38	LEU	H	H	8.358		1
263	1	38	LEU	HA	H	4.159		1
264	1	38	LEU	HB2	H	1.869		2
265	1	38	LEU	HB3	H	1.433		2
266	1	38	LEU	HG	H	1.807		1
267	1	38	LEU	HD11	H	0.906		2
268	1	38	LEU	HD12	H	0.906		2
269	1	38	LEU	HD13	H	0.906		2
270	1	38	LEU	HD21	H	0.932		2
271	1	38	LEU	HD22	H	0.932		2
272	1	38	LEU	HD23	H	0.932		2
273	1	39	LYS	H	H	8.547		1
274	1	39	LYS	HA	H	3.719		1
275	1	39	LYS	HB2	H	1.998		2
276	1	39	LYS	HB3	H	1.790		2
277	1	39	LYS	HG2	H	1.470		2
278	1	39	LYS	HG3	H	1.247		2
279	1	39	LYS	HD2	H	1.755		2
280	1	39	LYS	HD3	H	1.491		2
281	1	39	LYS	HE2	H	2.937		2
282	1	39	LYS	HE3	H	2.762		2
283	1	40	ASN	H	H	8.043		1
284	1	40	ASN	HA	H	4.464		1
285	1	40	ASN	HB2	H	2.913		2
286	1	40	ASN	HB3	H	2.752		2
287	1	40	ASN	HD21	H	6.885		2
288	1	40	ASN	HD22	H	7.469		2
289	1	41	GLU	H	H	8.116		1
290	1	41	GLU	HA	H	4.060		1
291	1	41	GLU	HB2	H	2.243		2
292	1	41	GLU	HB3	H	2.215		2
293	1	41	GLU	HG2	H	2.399		2
294	1	41	GLU	HG3	H	2.343		2
295	1	42	ILE	H	H	8.402		1
296	1	42	ILE	HA	H	3.795		1
297	1	42	ILE	HB	H	1.812		1
298	1	42	ILE	HG12	H	1.921		1
299	1	42	ILE	HG21	H	0.905		1
300	1	42	ILE	HG22	H	0.905		1
301	1	42	ILE	HG23	H	0.905		1
302	1	42	ILE	HD11	H	0.861		1
303	1	42	ILE	HD12	H	0.861		1
304	1	42	ILE	HD13	H	0.861		1
305	1	43	LEU	H	H	8.261		1
306	1	43	LEU	HA	H	3.926		1
307	1	43	LEU	HB2	H	1.896		2
308	1	43	LEU	HB3	H	1.479		2
309	1	43	LEU	HG	H	1.700		1
310	1	43	LEU	HD11	H	0.780		2
311	1	43	LEU	HD12	H	0.780		2
312	1	43	LEU	HD13	H	0.780		2
313	1	43	LEU	HD21	H	0.840		2
314	1	43	LEU	HD22	H	0.840		2
315	1	43	LEU	HD23	H	0.840		2
316	1	44	LYS	H	H	7.989		1
317	1	44	LYS	HA	H	4.034		1
318	1	44	LYS	HB2	H	1.892		2
319	1	44	LYS	HB3	H	1.892		2
320	1	44	LYS	HG2	H	1.431		2
321	1	44	LYS	HG3	H	1.431		2
322	1	44	LYS	HD2	H	1.671		2
323	1	44	LYS	HD3	H	1.671		2
324	1	44	LYS	HE2	H	2.958		2
325	1	44	LYS	HE3	H	2.958		2
326	1	45	ALA	H	H	7.828		1
327	1	45	ALA	HA	H	4.156		1
328	1	45	ALA	HB1	H	1.321		1
329	1	45	ALA	HB2	H	1.321		1
330	1	45	ALA	HB3	H	1.321		1
331	1	46	HIS	H	H	7.800		1
332	1	46	HIS	HA	H	4.566		1
333	1	46	HIS	HB2	H	3.270		2
334	1	46	HIS	HB3	H	2.856		2
335	1	46	HIS	HD2	H	7.213		1
336	1	46	HIS	HE1	H	7.926		1
337	1	47	ALA	H	H	7.823		1
338	1	47	ALA	HA	H	4.263		1
339	1	47	ALA	HB1	H	1.482		1
340	1	47	ALA	HB2	H	1.482		1
341	1	47	ALA	HB3	H	1.482		1
342	1	48	NH2	HN1	H	7.046		2
343	1	48	NH2	HN2	H	7.423		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 : 11 entities Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail