BMRB: 31160

Backbone Modification in the GA Module of Protein PAB: beta3-residues at positions 23 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, 5554.539 Da Detail

LKNAKEDAIA ELKKAGITSD FYXNAXNKAK TVEEVNALKN EILKAHAX

Formula weight

5554.539 Da

Source organism

Finegoldia magna

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 349 assignments Detail

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ID	Entity ID	Seq ID	Comp ID	Atom ID	Atom type	Val	Val err	Ambig. code
1	1	1	LEU	HA	H	4.245		1
2	1	1	LEU	HB2	H	1.416		2
3	1	1	LEU	HB3	H	1.416		2
4	1	1	LEU	HG	H	1.641		1
5	1	1	LEU	HD11	H	0.920		2
6	1	1	LEU	HD12	H	0.920		2
7	1	1	LEU	HD13	H	0.920		2
8	1	1	LEU	HD21	H	0.920		2
9	1	1	LEU	HD22	H	0.920		2
10	1	1	LEU	HD23	H	0.920		2
11	1	2	LYS	H	H	8.256		1
12	1	2	LYS	HA	H	4.271		1
13	1	2	LYS	HB2	H	1.810		2
14	1	2	LYS	HB3	H	1.810		2
15	1	2	LYS	HG2	H	1.414		2
16	1	2	LYS	HG3	H	1.414		2
17	1	2	LYS	HD2	H	1.679		2
18	1	2	LYS	HD3	H	1.679		2
19	1	2	LYS	HE2	H	2.971		2
20	1	2	LYS	HE3	H	2.971		2
21	1	3	ASN	H	H	8.684		1
22	1	3	ASN	HA	H	4.693		1
23	1	3	ASN	HB2	H	2.966		2
24	1	3	ASN	HB3	H	2.833		2
25	1	3	ASN	HD21	H	7.081		2
26	1	3	ASN	HD22	H	7.785		2
27	1	4	ALA	H	H	8.559		1
28	1	4	ALA	HA	H	4.170		1
29	1	4	ALA	HB1	H	1.511		1
30	1	4	ALA	HB2	H	1.511		1
31	1	4	ALA	HB3	H	1.511		1
32	1	5	LYS	H	H	8.414		1
33	1	5	LYS	HA	H	3.875		1
34	1	5	LYS	HB2	H	1.935		2
35	1	5	LYS	HB3	H	1.885		2
36	1	5	LYS	HG2	H	1.389		2
37	1	5	LYS	HG3	H	1.308		2
38	1	5	LYS	HD2	H	1.702		2
39	1	5	LYS	HD3	H	1.702		2
40	1	5	LYS	HE2	H	2.910		2
41	1	5	LYS	HE3	H	2.863		2
42	1	6	GLU	H	H	8.211		1
43	1	6	GLU	HA	H	3.901		1
44	1	6	GLU	HB2	H	2.057		2
45	1	6	GLU	HB3	H	2.004		2
46	1	6	GLU	HG2	H	2.398		2
47	1	6	GLU	HG3	H	2.283		2
48	1	7	ASP	H	H	8.522		1
49	1	7	ASP	HA	H	4.424		1
50	1	7	ASP	HB2	H	2.679		2
51	1	7	ASP	HB3	H	2.679		2
52	1	8	ALA	H	H	7.979		1
53	1	8	ALA	HA	H	4.099		1
54	1	8	ALA	HB1	H	1.453		1
55	1	8	ALA	HB2	H	1.453		1
56	1	8	ALA	HB3	H	1.453		1
57	1	9	ILE	H	H	8.341		1
58	1	9	ILE	HA	H	3.464		1
59	1	9	ILE	HB	H	1.750		1
60	1	9	ILE	HG12	H	1.893		2
61	1	9	ILE	HG13	H	0.927		2
62	1	9	ILE	HG21	H	0.399		1
63	1	9	ILE	HG22	H	0.399		1
64	1	9	ILE	HG23	H	0.399		1
65	1	9	ILE	HD11	H	0.853		1
66	1	9	ILE	HD12	H	0.853		1
67	1	9	ILE	HD13	H	0.853		1
68	1	10	ALA	H	H	7.981		1
69	1	10	ALA	HA	H	4.021		1
70	1	10	ALA	HB1	H	1.509		1
71	1	10	ALA	HB2	H	1.509		1
72	1	10	ALA	HB3	H	1.509		1
73	1	11	GLU	H	H	8.064		1
74	1	11	GLU	HA	H	3.979		1
75	1	11	GLU	HB2	H	2.192		2
76	1	11	GLU	HB3	H	2.087		2
77	1	11	GLU	HG2	H	2.434		2
78	1	11	GLU	HG3	H	2.434		2
79	1	12	LEU	H	H	8.406		1
80	1	12	LEU	HA	H	4.033		1
81	1	12	LEU	HB2	H	2.311		2
82	1	12	LEU	HB3	H	1.412		2
83	1	12	LEU	HG	H	1.979		1
84	1	12	LEU	HD11	H	0.845		2
85	1	12	LEU	HD12	H	0.845		2
86	1	12	LEU	HD13	H	0.845		2
87	1	12	LEU	HD21	H	0.845		2
88	1	12	LEU	HD22	H	0.845		2
89	1	12	LEU	HD23	H	0.845		2
90	1	13	LYS	H	H	8.798		1
91	1	13	LYS	HA	H	4.383		1
92	1	13	LYS	HB2	H	1.805		2
93	1	13	LYS	HB3	H	1.805		2
94	1	13	LYS	HG2	H	1.419		2
95	1	13	LYS	HG3	H	1.358		2
96	1	13	LYS	HD2	H	1.526		2
97	1	13	LYS	HD3	H	1.526		2
98	1	13	LYS	HE2	H	2.541		2
99	1	13	LYS	HE3	H	2.240		2
100	1	14	LYS	H	H	8.113		1
101	1	14	LYS	HA	H	4.076		1
102	1	14	LYS	HB2	H	1.973		2
103	1	14	LYS	HB3	H	1.944		2
104	1	14	LYS	HG2	H	1.583		2
105	1	14	LYS	HG3	H	1.583		2
106	1	14	LYS	HD2	H	1.693		2
107	1	14	LYS	HD3	H	1.693		2
108	1	14	LYS	HE2	H	2.964		2
109	1	14	LYS	HE3	H	2.964		2
110	1	15	ALA	H	H	7.438		1
111	1	15	ALA	HA	H	4.397		1
112	1	15	ALA	HB1	H	1.504		1
113	1	15	ALA	HB2	H	1.504		1
114	1	15	ALA	HB3	H	1.504		1
115	1	16	GLY	H	H	7.826		1
116	1	16	GLY	HA2	H	4.327		2
117	1	16	GLY	HA3	H	3.706		2
118	1	17	ILE	H	H	7.856		1
119	1	17	ILE	HA	H	3.945		1
120	1	17	ILE	HB	H	1.698		1
121	1	17	ILE	HG12	H	0.990		2
122	1	17	ILE	HG13	H	0.808		2
123	1	17	ILE	HG21	H	0.615		1
124	1	17	ILE	HG22	H	0.615		1
125	1	17	ILE	HG23	H	0.615		1
126	1	17	ILE	HD11	H	0.468		1
127	1	17	ILE	HD12	H	0.468		1
128	1	17	ILE	HD13	H	0.468		1
129	1	18	THR	H	H	8.404		1
130	1	18	THR	HA	H	4.726		1
131	1	18	THR	HB	H	4.351		1
132	1	18	THR	HG21	H	1.174		1
133	1	18	THR	HG22	H	1.174		1
134	1	18	THR	HG23	H	1.174		1
135	1	19	SER	H	H	7.514		1
136	1	19	SER	HA	H	4.393		1
137	1	19	SER	HB2	H	4.028		2
138	1	19	SER	HB3	H	3.628		2
139	1	20	ASP	H	H	9.031		1
140	1	20	ASP	HA	H	4.525		1
141	1	20	ASP	HB2	H	2.716		2
142	1	20	ASP	HB3	H	2.687		2
143	1	21	PHE	H	H	8.089		1
144	1	21	PHE	HA	H	4.179		1
145	1	21	PHE	HB2	H	2.986		2
146	1	21	PHE	HB3	H	2.443		2
147	1	21	PHE	HD1	H	6.568		3
148	1	21	PHE	HD2	H	6.568		3
149	1	21	PHE	HE1	H	7.159		3
150	1	21	PHE	HE2	H	7.159		3
151	1	21	PHE	HZ	H	7.216		1
152	1	22	TYR	H	H	7.287		1
153	1	22	TYR	HA	H	4.296		1
154	1	22	TYR	HB2	H	2.579		2
155	1	22	TYR	HB3	H	1.996		2
156	1	22	TYR	HD1	H	6.863		3
157	1	22	TYR	HD2	H	6.863		3
158	1	22	TYR	HE1	H	6.888		3
159	1	22	TYR	HE2	H	6.888		3
160	1	23	3FB	HA1	H	2.527		2
161	1	23	3FB	HA2	H	2.719		2
162	1	23	3FB	HB	H	4.685		1
163	1	23	3FB	HD1	H	7.129		1
164	1	23	3FB	HE1	H	7.199		1
165	1	23	3FB	HG1	H	2.930		2
166	1	23	3FB	HG2	H	3.226		2
167	1	23	3FB	HN	H	7.126		1
168	1	23	3FB	HZ	H	7.035		1
169	1	24	ASN	H	H	8.081		1
170	1	24	ASN	HA	H	4.337		1
171	1	24	ASN	HB2	H	2.772		2
172	1	24	ASN	HB3	H	2.700		2
173	1	24	ASN	HD21	H	7.035		2
174	1	24	ASN	HD22	H	7.725		2
175	1	25	ALA	H	H	7.629		1
176	1	25	ALA	HA	H	3.904		1
177	1	25	ALA	HB1	H	1.473		1
178	1	25	ALA	HB2	H	1.473		1
179	1	25	ALA	HB3	H	1.473		1
180	1	26	B3I	H1D2	H	0.973		1
181	1	26	B3I	H1E1	H	0.847		1
182	1	26	B3I	HA1	H	2.386		2
183	1	26	B3I	HA2	H	2.417		2
184	1	26	B3I	HB	H	3.942		1
185	1	26	B3I	HD11	H	1.655		2
186	1	26	B3I	HD12	H	1.672		2
187	1	26	B3I	HG	H	1.499		1
188	1	26	B3I	HN	H	7.951		1
189	1	27	ASN	H	H	8.181		1
190	1	27	ASN	HA	H	4.284		1
191	1	27	ASN	HB2	H	3.002		2
192	1	27	ASN	HB3	H	2.887		2
193	1	27	ASN	HD21	H	7.044		2
194	1	27	ASN	HD22	H	7.762		2
195	1	28	LYS	H	H	8.226		1
196	1	28	LYS	HA	H	4.045		1
197	1	28	LYS	HB2	H	1.909		2
198	1	28	LYS	HB3	H	1.909		2
199	1	28	LYS	HG2	H	1.599		2
200	1	28	LYS	HG3	H	1.599		2
201	1	28	LYS	HD2	H	1.692		2
202	1	28	LYS	HD3	H	1.692		2
203	1	28	LYS	HE2	H	2.949		2
204	1	28	LYS	HE3	H	2.949		2
205	1	29	ALA	H	H	7.287		1
206	1	29	ALA	HA	H	4.304		1
207	1	29	ALA	HB1	H	1.388		1
208	1	29	ALA	HB2	H	1.388		1
209	1	29	ALA	HB3	H	1.388		1
210	1	30	LYS	H	H	8.983		1
211	1	30	LYS	HA	H	4.456		1
212	1	30	LYS	HB2	H	1.974		2
213	1	30	LYS	HB3	H	1.974		2
214	1	30	LYS	HG2	H	1.664		2
215	1	30	LYS	HG3	H	1.535		2
216	1	30	LYS	HD2	H	1.738		2
217	1	30	LYS	HD3	H	1.738		2
218	1	30	LYS	HE2	H	3.069		2
219	1	30	LYS	HE3	H	3.069		2
220	1	31	THR	H	H	7.461		1
221	1	31	THR	HA	H	4.835		1
222	1	31	THR	HB	H	4.744		1
223	1	31	THR	HG21	H	1.265		1
224	1	31	THR	HG22	H	1.265		1
225	1	31	THR	HG23	H	1.265		1
226	1	32	VAL	H	H	9.009		1
227	1	32	VAL	HA	H	3.510		1
228	1	32	VAL	HB	H	2.052		1
229	1	32	VAL	HG11	H	0.952		2
230	1	32	VAL	HG12	H	0.952		2
231	1	32	VAL	HG13	H	0.952		2
232	1	32	VAL	HG21	H	1.071		2
233	1	32	VAL	HG22	H	1.071		2
234	1	32	VAL	HG23	H	1.071		2
235	1	33	GLU	H	H	8.799		1
236	1	33	GLU	HA	H	4.067		1
237	1	33	GLU	HB2	H	2.127		2
238	1	33	GLU	HB3	H	1.961		2
239	1	33	GLU	HG2	H	2.494		2
240	1	33	GLU	HG3	H	2.299		2
241	1	34	GLU	H	H	8.064		1
242	1	34	GLU	HA	H	4.133		1
243	1	34	GLU	HB2	H	2.213		2
244	1	34	GLU	HB3	H	2.142		2
245	1	34	GLU	HG2	H	2.479		2
246	1	34	GLU	HG3	H	2.299		2
247	1	35	VAL	H	H	8.188		1
248	1	35	VAL	HA	H	3.311		1
249	1	35	VAL	HB	H	2.331		1
250	1	35	VAL	HG11	H	0.810		2
251	1	35	VAL	HG12	H	0.810		2
252	1	35	VAL	HG13	H	0.810		2
253	1	35	VAL	HG21	H	0.978		2
254	1	35	VAL	HG22	H	0.978		2
255	1	35	VAL	HG23	H	0.978		2
256	1	36	ASN	H	H	8.404		1
257	1	36	ASN	HA	H	4.355		1
258	1	36	ASN	HB2	H	2.809		2
259	1	36	ASN	HB3	H	2.779		2
260	1	36	ASN	HD21	H	6.991		2
261	1	36	ASN	HD22	H	7.687		2
262	1	37	ALA	H	H	8.147		1
263	1	37	ALA	HA	H	4.208		1
264	1	37	ALA	HB1	H	1.538		1
265	1	37	ALA	HB2	H	1.538		1
266	1	37	ALA	HB3	H	1.538		1
267	1	38	LEU	H	H	8.367		1
268	1	38	LEU	HA	H	4.165		1
269	1	38	LEU	HB2	H	1.899		2
270	1	38	LEU	HB3	H	1.415		2
271	1	38	LEU	HG	H	1.777		1
272	1	38	LEU	HD11	H	0.905		2
273	1	38	LEU	HD12	H	0.905		2
274	1	38	LEU	HD13	H	0.905		2
275	1	38	LEU	HD21	H	0.931		2
276	1	38	LEU	HD22	H	0.931		2
277	1	38	LEU	HD23	H	0.931		2
278	1	39	LYS	H	H	8.666		1
279	1	39	LYS	HA	H	3.753		1
280	1	39	LYS	HB2	H	2.003		2
281	1	39	LYS	HB3	H	1.825		2
282	1	39	LYS	HG2	H	1.502		2
283	1	39	LYS	HG3	H	1.304		2
284	1	39	LYS	HD2	H	1.773		2
285	1	39	LYS	HD3	H	1.551		2
286	1	39	LYS	HE2	H	2.950		2
287	1	39	LYS	HE3	H	2.776		2
288	1	40	ASN	H	H	7.978		1
289	1	40	ASN	HA	H	4.463		1
290	1	40	ASN	HB2	H	2.903		2
291	1	40	ASN	HB3	H	2.770		2
292	1	40	ASN	HD21	H	6.998		2
293	1	40	ASN	HD22	H	7.584		2
294	1	41	GLU	H	H	8.134		1
295	1	41	GLU	HA	H	4.065		1
296	1	41	GLU	HB2	H	2.248		2
297	1	41	GLU	HB3	H	2.220		2
298	1	41	GLU	HG2	H	2.405		2
299	1	41	GLU	HG3	H	2.334		2
300	1	42	ILE	H	H	8.577		1
301	1	42	ILE	HA	H	3.672		1
302	1	42	ILE	HB	H	1.623		1
303	1	42	ILE	HG12	H	1.760		2
304	1	42	ILE	HG13	H	0.568		2
305	1	42	ILE	HG21	H	0.433		1
306	1	42	ILE	HG22	H	0.433		1
307	1	42	ILE	HG23	H	0.433		1
308	1	42	ILE	HD11	H	0.478		1
309	1	42	ILE	HD12	H	0.478		1
310	1	42	ILE	HD13	H	0.478		1
311	1	43	LEU	H	H	8.240		1
312	1	43	LEU	HA	H	3.969		1
313	1	43	LEU	HB2	H	1.902		2
314	1	43	LEU	HB3	H	1.500		2
315	1	43	LEU	HG	H	1.742		1
316	1	43	LEU	HD11	H	0.792		2
317	1	43	LEU	HD12	H	0.792		2
318	1	43	LEU	HD13	H	0.792		2
319	1	43	LEU	HD21	H	0.851		2
320	1	43	LEU	HD22	H	0.851		2
321	1	43	LEU	HD23	H	0.851		2
322	1	44	LYS	H	H	7.979		1
323	1	44	LYS	HA	H	4.077		1
324	1	44	LYS	HB2	H	1.917		2
325	1	44	LYS	HB3	H	1.917		2
326	1	44	LYS	HG2	H	1.555		2
327	1	44	LYS	HG3	H	1.555		2
328	1	44	LYS	HD2	H	1.685		2
329	1	44	LYS	HD3	H	1.685		2
330	1	44	LYS	HE2	H	2.962		2
331	1	44	LYS	HE3	H	2.962		2
332	1	45	ALA	H	H	7.947		1
333	1	45	ALA	HA	H	4.208		1
334	1	45	ALA	HB1	H	1.494		1
335	1	45	ALA	HB2	H	1.494		1
336	1	45	ALA	HB3	H	1.494		1
337	1	46	HIS	H	H	8.052		1
338	1	46	HIS	HA	H	4.527		1
339	1	46	HIS	HB2	H	3.377		2
340	1	46	HIS	HB3	H	3.048		2
341	1	46	HIS	HD2	H	7.346		1
342	1	46	HIS	HE1	H	8.379		1
343	1	47	ALA	H	H	7.825		1
344	1	47	ALA	HA	H	4.231		1
345	1	47	ALA	HB1	H	1.494		1
346	1	47	ALA	HB2	H	1.494		1
347	1	47	ALA	HB3	H	1.494		1
348	1	48	NH2	HN1	H	7.205		2
349	1	48	NH2	HN2	H	7.354		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