BMRB: 31162

Backbone Modification in the GA Module of Protein PAB: ACPC residues at positions 5 and 13, beta3 residue at position 9

Authors

Lin, Y., Horne, W.S.

Assembly

Peptostreptococcal albumin-binding protein

Entity

1. Peptostreptococcal albumin-binding protein (polymer, Thiol state: not present), 48 monomers, 5151.841 Da Detail

LKNAXEDAXA ELXKAGITSD FYFNAINKAK TVEEVNALKN EILKAHAX

Formula weight

5151.841 Da

Source organism

Finegoldia magna

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 345 assignments Detail

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• TSV

ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	LEU	HA	H	4.268		1
2	1	1	LEU	HB2	H	1.578		2
3	1	1	LEU	HB3	H	1.578		2
4	1	1	LEU	HD11	H	0.875		2
5	1	1	LEU	HD12	H	0.875		2
6	1	1	LEU	HD13	H	0.875		2
7	1	1	LEU	HD21	H	0.932		2
8	1	1	LEU	HD22	H	0.932		2
9	1	1	LEU	HD23	H	0.932		2
10	1	2	LYS	H	H	8.171		1
11	1	2	LYS	HA	H	4.269		1
12	1	2	LYS	HB2	H	1.810		2
13	1	2	LYS	HB3	H	1.810		2
14	1	2	LYS	HG2	H	1.460		2
15	1	2	LYS	HG3	H	1.385		2
16	1	2	LYS	HD2	H	1.683		2
17	1	2	LYS	HD3	H	1.683		2
18	1	2	LYS	HE2	H	2.983		2
19	1	2	LYS	HE3	H	2.983		2
20	1	3	ASN	H	H	8.662		1
21	1	3	ASN	HA	H	4.674		1
22	1	3	ASN	HB2	H	2.918		2
23	1	3	ASN	HB3	H	2.841		2
24	1	3	ASN	HD21	H	7.052		2
25	1	3	ASN	HD22	H	7.808		2
26	1	4	ALA	H	H	8.473		1
27	1	4	ALA	HA	H	4.140		1
28	1	4	ALA	HB1	H	1.422		1
29	1	4	ALA	HB2	H	1.422		1
30	1	4	ALA	HB3	H	1.422		1
31	1	5	XCP	H	H	7.992		1
32	1	5	XCP	HA	H	2.557		1
33	1	5	XCP	HB	H	4.274		1
34	1	5	XCP	HD	H	1.588		1
35	1	5	XCP	HDA	H	1.819		1
36	1	5	XCP	HE	H	1.672		1
37	1	5	XCP	HEA	H	2.031		1
38	1	5	XCP	HG	H	1.672		1
39	1	5	XCP	HGA	H	1.896		1
40	1	6	GLU	H	H	8.263		1
41	1	6	GLU	HA	H	3.955		1
42	1	6	GLU	HB2	H	2.092		2
43	1	6	GLU	HB3	H	2.092		2
44	1	6	GLU	HG2	H	2.390		2
45	1	6	GLU	HG3	H	2.390		2
46	1	7	ASP	H	H	8.364		1
47	1	7	ASP	HA	H	4.525		1
48	1	7	ASP	HB2	H	2.857		2
49	1	7	ASP	HB3	H	2.680		2
50	1	8	ALA	H	H	7.825		1
51	1	8	ALA	HA	H	4.069		1
52	1	8	ALA	HB1	H	1.338		1
53	1	8	ALA	HB2	H	1.338		1
54	1	8	ALA	HB3	H	1.338		1
55	1	9	BIL	H	H	7.846		1
56	1	9	BIL	H1D1	H	1.006		1
57	1	9	BIL	H1D2	H	0.686		1
58	1	9	BIL	H1E1	H	0.183		1
59	1	9	BIL	H2D1	H	1.548		1
60	1	9	BIL	HA	H	2.293		1
61	1	9	BIL	HAA	H	2.347		1
62	1	9	BIL	HB	H	4.026		1
63	1	9	BIL	HG	H	1.510		1
64	1	10	ALA	H	H	7.914		1
65	1	10	ALA	HA	H	4.014		1
66	1	10	ALA	HB1	H	1.575		1
67	1	10	ALA	HB2	H	1.575		1
68	1	10	ALA	HB3	H	1.575		1
69	1	11	GLU	H	H	8.122		1
70	1	11	GLU	HA	H	4.085		1
71	1	11	GLU	HB2	H	2.215		2
72	1	11	GLU	HB3	H	2.114		2
73	1	11	GLU	HG2	H	2.398		2
74	1	11	GLU	HG3	H	2.398		2
75	1	12	LEU	H	H	8.575		1
76	1	12	LEU	HA	H	4.030		1
77	1	12	LEU	HB2	H	1.574		2
78	1	12	LEU	HB3	H	1.574		2
79	1	12	LEU	HG	H	1.727		1
80	1	12	LEU	HD11	H	0.695		2
81	1	12	LEU	HD12	H	0.695		2
82	1	12	LEU	HD13	H	0.695		2
83	1	12	LEU	HD21	H	0.695		2
84	1	12	LEU	HD22	H	0.695		2
85	1	12	LEU	HD23	H	0.695		2
86	1	13	XCP	H	H	7.857		1
87	1	13	XCP	HA	H	2.688		1
88	1	13	XCP	HB	H	4.327		1
89	1	13	XCP	HD	H	1.714		1
90	1	13	XCP	HDA	H	1.776		1
91	1	13	XCP	HE	H	1.827		1
92	1	13	XCP	HEA	H	1.945		1
93	1	13	XCP	HG	H	1.967		1
94	1	13	XCP	HGA	H	2.183		1
95	1	14	LYS	H	H	8.273		1
96	1	14	LYS	HA	H	3.928		1
97	1	14	LYS	HB2	H	1.982		2
98	1	14	LYS	HB3	H	1.982		2
99	1	14	LYS	HG2	H	1.594		2
100	1	14	LYS	HG3	H	1.488		2
101	1	14	LYS	HD2	H	1.724		2
102	1	14	LYS	HD3	H	1.724		2
103	1	14	LYS	HE2	H	2.968		2
104	1	14	LYS	HE3	H	2.968		2
105	1	15	ALA	H	H	7.606		1
106	1	15	ALA	HA	H	4.378		1
107	1	15	ALA	HB1	H	1.540		1
108	1	15	ALA	HB2	H	1.540		1
109	1	15	ALA	HB3	H	1.540		1
110	1	16	GLY	H	H	7.917		1
111	1	16	GLY	HA2	H	3.984		2
112	1	16	GLY	HA3	H	3.878		2
113	1	17	ILE	H	H	8.548		1
114	1	17	ILE	HA	H	3.939		1
115	1	17	ILE	HB	H	1.722		1
116	1	17	ILE	HG12	H	1.542		2
117	1	17	ILE	HG13	H	1.249		2
118	1	17	ILE	HG21	H	0.808		1
119	1	17	ILE	HG22	H	0.808		1
120	1	17	ILE	HG23	H	0.808		1
121	1	17	ILE	HD11	H	0.603		1
122	1	17	ILE	HD12	H	0.603		1
123	1	17	ILE	HD13	H	0.603		1
124	1	18	THR	H	H	8.181		1
125	1	18	THR	HA	H	4.339		1
126	1	18	THR	HB	H	4.219		1
127	1	18	THR	HG21	H	1.096		1
128	1	18	THR	HG22	H	1.096		1
129	1	18	THR	HG23	H	1.096		1
130	1	19	SER	H	H	7.747		1
131	1	19	SER	HA	H	4.356		1
132	1	19	SER	HB2	H	4.083		2
133	1	19	SER	HB3	H	3.773		2
134	1	20	ASP	H	H	8.906		1
135	1	20	ASP	HA	H	4.378		1
136	1	20	ASP	HB2	H	2.644		2
137	1	20	ASP	HB3	H	2.644		2
138	1	21	PHE	H	H	8.482		1
139	1	21	PHE	HA	H	4.149		1
140	1	21	PHE	HB2	H	3.179		2
141	1	21	PHE	HB3	H	2.669		2
142	1	21	PHE	HD1	H	6.688		3
143	1	21	PHE	HD2	H	6.688		3
144	1	21	PHE	HE1	H	7.104		3
145	1	21	PHE	HE2	H	7.104		3
146	1	21	PHE	HZ	H	7.191		1
147	1	22	TYR	H	H	8.110		1
148	1	22	TYR	HA	H	4.206		1
149	1	22	TYR	HB2	H	2.962		2
150	1	22	TYR	HB3	H	2.895		2
151	1	22	TYR	HD1	H	7.155		3
152	1	22	TYR	HD2	H	7.155		3
153	1	22	TYR	HE1	H	6.955		3
154	1	22	TYR	HE2	H	6.955		3
155	1	23	PHE	H	H	8.524		1
156	1	23	PHE	HA	H	4.206		1
157	1	23	PHE	HB2	H	3.359		2
158	1	23	PHE	HB3	H	3.054		2
159	1	23	PHE	HD1	H	7.313		3
160	1	23	PHE	HD2	H	7.313		3
161	1	23	PHE	HE1	H	7.302		3
162	1	23	PHE	HE2	H	7.302		3
163	1	23	PHE	HZ	H	7.305		1
164	1	24	ASN	H	H	8.362		1
165	1	24	ASN	HA	H	4.415		1
166	1	24	ASN	HB2	H	2.809		2
167	1	24	ASN	HB3	H	2.660		2
168	1	24	ASN	HD21	H	7.036		2
169	1	24	ASN	HD22	H	7.762		2
170	1	25	ALA	H	H	7.817		1
171	1	25	ALA	HA	H	3.868		1
172	1	25	ALA	HB1	H	1.260		1
173	1	25	ALA	HB2	H	1.260		1
174	1	25	ALA	HB3	H	1.260		1
175	1	26	ILE	H	H	8.195		1
176	1	26	ILE	HA	H	3.632		1
177	1	26	ILE	HB	H	1.981		1
178	1	26	ILE	HG12	H	1.802		2
179	1	26	ILE	HG13	H	1.115		2
180	1	26	ILE	HG21	H	0.851		1
181	1	26	ILE	HG22	H	0.851		1
182	1	26	ILE	HG23	H	0.851		1
183	1	26	ILE	HD11	H	0.710		1
184	1	26	ILE	HD12	H	0.710		1
185	1	26	ILE	HD13	H	0.710		1
186	1	27	ASN	H	H	8.044		1
187	1	27	ASN	HA	H	4.482		1
188	1	27	ASN	HB2	H	2.804		2
189	1	27	ASN	HB3	H	2.663		2
190	1	27	ASN	HD21	H	6.601		2
191	1	27	ASN	HD22	H	7.303		2
192	1	28	LYS	H	H	7.523		1
193	1	28	LYS	HA	H	4.278		1
194	1	28	LYS	HB2	H	1.871		2
195	1	28	LYS	HB3	H	1.722		2
196	1	28	LYS	HG2	H	1.469		2
197	1	28	LYS	HG3	H	1.469		2
198	1	28	LYS	HD2	H	1.575		2
199	1	28	LYS	HD3	H	1.575		2
200	1	28	LYS	HE2	H	2.922		2
201	1	28	LYS	HE3	H	2.922		2
202	1	29	ALA	H	H	7.288		1
203	1	29	ALA	HA	H	4.178		1
204	1	29	ALA	HB1	H	1.433		1
205	1	29	ALA	HB2	H	1.433		1
206	1	29	ALA	HB3	H	1.433		1
207	1	30	LYS	H	H	8.840		1
208	1	30	LYS	HA	H	4.329		1
209	1	30	LYS	HB2	H	2.001		2
210	1	30	LYS	HB3	H	1.958		2
211	1	30	LYS	HG2	H	1.674		2
212	1	30	LYS	HG3	H	1.537		2
213	1	30	LYS	HD2	H	1.729		2
214	1	30	LYS	HD3	H	1.729		2
215	1	30	LYS	HE2	H	3.057		2
216	1	30	LYS	HE3	H	3.057		2
217	1	31	THR	H	H	7.453		1
218	1	31	THR	HA	H	4.851		1
219	1	31	THR	HB	H	4.701		1
220	1	31	THR	HG21	H	1.250		1
221	1	31	THR	HG22	H	1.250		1
222	1	31	THR	HG23	H	1.250		1
223	1	32	VAL	H	H	8.932		1
224	1	32	VAL	HA	H	3.597		1
225	1	32	VAL	HB	H	2.041		1
226	1	32	VAL	HG11	H	0.949		2
227	1	32	VAL	HG12	H	0.949		2
228	1	32	VAL	HG13	H	0.949		2
229	1	32	VAL	HG21	H	1.055		2
230	1	32	VAL	HG22	H	1.055		2
231	1	32	VAL	HG23	H	1.055		2
232	1	33	GLU	H	H	8.773		1
233	1	33	GLU	HA	H	4.050		1
234	1	33	GLU	HB2	H	2.117		2
235	1	33	GLU	HB3	H	1.950		2
236	1	33	GLU	HG2	H	2.488		2
237	1	33	GLU	HG3	H	2.488		2
238	1	34	GLU	H	H	7.960		1
239	1	34	GLU	HA	H	4.123		1
240	1	34	GLU	HB2	H	2.214		2
241	1	34	GLU	HB3	H	2.132		2
242	1	34	GLU	HG2	H	2.413		2
243	1	34	GLU	HG3	H	2.273		2
244	1	35	VAL	H	H	8.011		1
245	1	35	VAL	HA	H	3.345		1
246	1	35	VAL	HB	H	2.288		1
247	1	35	VAL	HG11	H	0.799		2
248	1	35	VAL	HG12	H	0.799		2
249	1	35	VAL	HG13	H	0.799		2
250	1	35	VAL	HG21	H	1.068		2
251	1	35	VAL	HG22	H	1.068		2
252	1	35	VAL	HG23	H	1.068		2
253	1	36	ASN	H	H	8.520		1
254	1	36	ASN	HA	H	4.349		1
255	1	36	ASN	HB2	H	2.807		2
256	1	36	ASN	HB3	H	2.743		2
257	1	36	ASN	HD21	H	6.974		2
258	1	36	ASN	HD22	H	7.637		2
259	1	37	ALA	H	H	8.140		1
260	1	37	ALA	HA	H	4.203		1
261	1	37	ALA	HB1	H	1.544		1
262	1	37	ALA	HB2	H	1.544		1
263	1	37	ALA	HB3	H	1.544		1
264	1	38	LEU	H	H	8.154		1
265	1	38	LEU	HA	H	4.167		1
266	1	38	LEU	HB2	H	2.005		2
267	1	38	LEU	HB3	H	1.384		2
268	1	38	LEU	HG	H	1.867		1
269	1	38	LEU	HD11	H	0.826		2
270	1	38	LEU	HD12	H	0.826		2
271	1	38	LEU	HD13	H	0.826		2
272	1	38	LEU	HD21	H	0.933		2
273	1	38	LEU	HD22	H	0.933		2
274	1	38	LEU	HD23	H	0.933		2
275	1	39	LYS	H	H	8.665		1
276	1	39	LYS	HA	H	3.779		1
277	1	39	LYS	HB2	H	1.897		2
278	1	39	LYS	HB3	H	1.782		2
279	1	39	LYS	HG2	H	1.486		2
280	1	39	LYS	HG3	H	1.346		2
281	1	39	LYS	HD2	H	1.674		2
282	1	39	LYS	HD3	H	1.512		2
283	1	39	LYS	HE2	H	2.947		2
284	1	39	LYS	HE3	H	2.829		2
285	1	40	ASN	H	H	8.216		1
286	1	40	ASN	HA	H	4.466		1
287	1	40	ASN	HB2	H	2.896		2
288	1	40	ASN	HB3	H	2.754		2
289	1	40	ASN	HD21	H	6.979		2
290	1	40	ASN	HD22	H	7.578		2
291	1	41	GLU	H	H	7.951		1
292	1	41	GLU	HA	H	4.079		1
293	1	41	GLU	HB2	H	2.298		2
294	1	41	GLU	HB3	H	2.298		2
295	1	41	GLU	HG2	H	2.410		2
296	1	41	GLU	HG3	H	2.410		2
297	1	42	ILE	H	H	7.976		1
298	1	42	ILE	HA	H	3.903		1
299	1	42	ILE	HG12	H	1.085		2
300	1	42	ILE	HG13	H	0.938		2
301	1	42	ILE	HG21	H	0.708		1
302	1	42	ILE	HG22	H	0.708		1
303	1	42	ILE	HG23	H	0.708		1
304	1	42	ILE	HD11	H	0.791		1
305	1	42	ILE	HD12	H	0.791		1
306	1	42	ILE	HD13	H	0.791		1
307	1	43	LEU	H	H	8.233		1
308	1	43	LEU	HA	H	4.012		1
309	1	43	LEU	HB2	H	1.874		2
310	1	43	LEU	HB3	H	1.481		2
311	1	43	LEU	HG	H	1.707		1
312	1	43	LEU	HD11	H	0.792		2
313	1	43	LEU	HD12	H	0.792		2
314	1	43	LEU	HD13	H	0.792		2
315	1	43	LEU	HD21	H	0.842		2
316	1	43	LEU	HD22	H	0.842		2
317	1	43	LEU	HD23	H	0.842		2
318	1	44	LYS	H	H	7.952		1
319	1	44	LYS	HA	H	4.100		1
320	1	44	LYS	HB2	H	1.905		2
321	1	44	LYS	HB3	H	1.905		2
322	1	44	LYS	HG2	H	1.544		2
323	1	44	LYS	HG3	H	1.544		2
324	1	44	LYS	HD2	H	1.678		2
325	1	44	LYS	HD3	H	1.678		2
326	1	44	LYS	HE2	H	2.961		2
327	1	44	LYS	HE3	H	2.961		2
328	1	45	ALA	H	H	7.872		1
329	1	45	ALA	HA	H	4.206		1
330	1	45	ALA	HB1	H	1.484		1
331	1	45	ALA	HB2	H	1.484		1
332	1	45	ALA	HB3	H	1.484		1
333	1	46	HIS	H	H	8.204		1
334	1	46	HIS	HA	H	4.522		1
335	1	46	HIS	HB2	H	3.378		2
336	1	46	HIS	HB3	H	3.119		2
337	1	46	HIS	HD2	H	7.388		1
338	1	46	HIS	HE1	H	8.495		1
339	1	47	ALA	H	H	7.857		1
340	1	47	ALA	HA	H	4.243		1
341	1	47	ALA	HB1	H	1.486		1
342	1	47	ALA	HB2	H	1.486		1
343	1	47	ALA	HB3	H	1.486		1
344	1	48	NH2	HN1	H	7.205		2
345	1	48	NH2	HN2	H	7.387		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 : 16 entities Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail