BMRB: 31163

Backbone Modification in the GA Module of Protein PAB: ACPC residues at positions 5 and 39, beta3 residue at position 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, 5151.841 Da Detail

LKNAXEDAIA ELKKAGITSD FYFNAXNKAK TVEEVNALXN 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	4.015		1
2	1	1	LEU	HB2	H	1.723		2
3	1	1	LEU	HB3	H	1.723		2
4	1	1	LEU	HG	H	1.668		1
5	1	1	LEU	HD11	H	0.946		2
6	1	1	LEU	HD12	H	0.946		2
7	1	1	LEU	HD13	H	0.946		2
8	1	1	LEU	HD21	H	0.946		2
9	1	1	LEU	HD22	H	0.946		2
10	1	1	LEU	HD23	H	0.946		2
11	1	2	LYS	HA	H	4.318		1
12	1	2	LYS	HB2	H	1.787		2
13	1	2	LYS	HB3	H	1.787		2
14	1	2	LYS	HG2	H	1.437		2
15	1	2	LYS	HG3	H	1.437		2
16	1	2	LYS	HD2	H	1.691		2
17	1	2	LYS	HD3	H	1.691		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	8.622		1
21	1	3	ASN	HA	H	4.705		1
22	1	3	ASN	HB2	H	2.900		2
23	1	3	ASN	HB3	H	2.798		2
24	1	3	ASN	HD21	H	6.945		2
25	1	3	ASN	HD22	H	7.688		2
26	1	4	ALA	H	H	8.472		1
27	1	4	ALA	HA	H	4.207		1
28	1	4	ALA	HB1	H	1.425		1
29	1	4	ALA	HB2	H	1.425		1
30	1	4	ALA	HB3	H	1.425		1
31	1	5	XCP	H	H	8.056		1
32	1	5	XCP	HA	H	2.542		1
33	1	5	XCP	HB	H	4.329		1
34	1	5	XCP	HD	H	1.710		1
35	1	5	XCP	HDA	H	1.813		1
36	1	5	XCP	HE	H	1.602		1
37	1	5	XCP	HEA	H	2.033		1
38	1	5	XCP	HG	H	1.704		1
39	1	5	XCP	HGA	H	1.925		1
40	1	6	GLU	H	H	8.241		1
41	1	6	GLU	HA	H	3.853		1
42	1	6	GLU	HB2	H	2.058		2
43	1	6	GLU	HB3	H	2.058		2
44	1	6	GLU	HG2	H	2.347		2
45	1	6	GLU	HG3	H	2.347		2
46	1	7	ASP	H	H	8.288		1
47	1	7	ASP	HA	H	4.483		1
48	1	7	ASP	HB2	H	2.930		2
49	1	7	ASP	HB3	H	2.687		2
50	1	8	ALA	H	H	7.888		1
51	1	8	ALA	HA	H	4.161		1
52	1	8	ALA	HB1	H	1.416		1
53	1	8	ALA	HB2	H	1.416		1
54	1	8	ALA	HB3	H	1.416		1
55	1	9	ILE	H	H	8.358		1
56	1	9	ILE	HA	H	3.414		1
57	1	9	ILE	HB	H	1.801		1
58	1	9	ILE	HG12	H	1.617		2
59	1	9	ILE	HG13	H	0.921		2
60	1	9	ILE	HG21	H	0.798		1
61	1	9	ILE	HG22	H	0.798		1
62	1	9	ILE	HG23	H	0.798		1
63	1	9	ILE	HD11	H	0.741		1
64	1	9	ILE	HD12	H	0.741		1
65	1	9	ILE	HD13	H	0.741		1
66	1	10	ALA	H	H	8.086		1
67	1	10	ALA	HA	H	4.085		1
68	1	10	ALA	HB1	H	1.555		1
69	1	10	ALA	HB2	H	1.555		1
70	1	10	ALA	HB3	H	1.555		1
71	1	11	GLU	H	H	7.812		1
72	1	11	GLU	HA	H	4.032		1
73	1	11	GLU	HB2	H	2.178		2
74	1	11	GLU	HB3	H	2.112		2
75	1	11	GLU	HG2	H	2.335		2
76	1	11	GLU	HG3	H	2.335		2
77	1	12	LEU	H	H	8.015		1
78	1	12	LEU	HA	H	3.966		1
79	1	12	LEU	HB2	H	1.935		2
80	1	12	LEU	HB3	H	1.381		2
81	1	12	LEU	HG	H	1.862		1
82	1	12	LEU	HD11	H	0.661		2
83	1	12	LEU	HD12	H	0.661		2
84	1	12	LEU	HD13	H	0.661		2
85	1	12	LEU	HD21	H	0.738		2
86	1	12	LEU	HD22	H	0.738		2
87	1	12	LEU	HD23	H	0.738		2
88	1	13	LYS	H	H	8.426		1
89	1	13	LYS	HA	H	4.104		1
90	1	13	LYS	HB2	H	1.893		2
91	1	13	LYS	HB3	H	1.893		2
92	1	13	LYS	HG2	H	1.445		2
93	1	13	LYS	HG3	H	1.445		2
94	1	13	LYS	HD2	H	1.656		2
95	1	13	LYS	HD3	H	1.656		2
96	1	13	LYS	HE2	H	2.916		2
97	1	13	LYS	HE3	H	2.872		2
98	1	14	LYS	H	H	7.967		1
99	1	14	LYS	HA	H	4.058		1
100	1	14	LYS	HB2	H	1.935		2
101	1	14	LYS	HB3	H	1.935		2
102	1	14	LYS	HG2	H	1.597		2
103	1	14	LYS	HG3	H	1.597		2
104	1	14	LYS	HD2	H	1.692		2
105	1	14	LYS	HD3	H	1.692		2
106	1	14	LYS	HE2	H	2.947		2
107	1	14	LYS	HE3	H	2.947		2
108	1	15	ALA	H	H	7.444		1
109	1	15	ALA	HA	H	4.374		1
110	1	15	ALA	HB1	H	1.466		1
111	1	15	ALA	HB2	H	1.466		1
112	1	15	ALA	HB3	H	1.466		1
113	1	16	GLY	H	H	7.878		1
114	1	16	GLY	HA2	H	4.138		2
115	1	16	GLY	HA3	H	3.766		2
116	1	17	ILE	H	H	7.881		1
117	1	17	ILE	HA	H	4.031		1
118	1	17	ILE	HB	H	1.732		1
119	1	17	ILE	HG12	H	1.460		2
120	1	17	ILE	HG13	H	1.226		2
121	1	17	ILE	HG21	H	0.834		1
122	1	17	ILE	HG22	H	0.834		1
123	1	17	ILE	HG23	H	0.834		1
124	1	17	ILE	HD11	H	0.616		1
125	1	17	ILE	HD12	H	0.616		1
126	1	17	ILE	HD13	H	0.616		1
127	1	18	THR	H	H	8.116		1
128	1	18	THR	HA	H	4.488		1
129	1	18	THR	HB	H	4.437		1
130	1	18	THR	HG21	H	1.218		1
131	1	18	THR	HG22	H	1.218		1
132	1	18	THR	HG23	H	1.218		1
133	1	19	SER	H	H	8.081		1
134	1	19	SER	HA	H	4.443		1
135	1	19	SER	HB2	H	3.852		2
136	1	19	SER	HB3	H	3.753		2
137	1	20	ASP	H	H	8.559		1
138	1	20	ASP	HA	H	4.323		1
139	1	20	ASP	HB2	H	2.584		2
140	1	20	ASP	HB3	H	2.491		2
141	1	21	PHE	H	H	7.923		1
142	1	21	PHE	HA	H	4.297		1
143	1	21	PHE	HB2	H	3.062		2
144	1	21	PHE	HB3	H	3.062		2
145	1	21	PHE	HD1	H	6.934		3
146	1	21	PHE	HD2	H	6.934		3
147	1	21	PHE	HE1	H	7.229		3
148	1	21	PHE	HE2	H	7.229		3
149	1	21	PHE	HZ	H	7.305		1
150	1	22	TYR	H	H	7.449		1
151	1	22	TYR	HA	H	4.419		1
152	1	22	TYR	HB2	H	2.844		2
153	1	22	TYR	HB3	H	2.755		2
154	1	22	TYR	HD1	H	6.763		3
155	1	22	TYR	HD2	H	6.763		3
156	1	22	TYR	HE1	H	6.853		3
157	1	22	TYR	HE2	H	6.853		3
158	1	23	PHE	H	H	7.871		1
159	1	23	PHE	HA	H	4.287		1
160	1	23	PHE	HB2	H	3.128		2
161	1	23	PHE	HB3	H	3.128		2
162	1	23	PHE	HD1	H	7.223		3
163	1	23	PHE	HD2	H	7.223		3
164	1	23	PHE	HE1	H	7.309		3
165	1	23	PHE	HE2	H	7.309		3
166	1	23	PHE	HZ	H	7.390		1
167	1	24	ASN	H	H	8.160		1
168	1	24	ASN	HA	H	4.455		1
169	1	24	ASN	HB2	H	2.704		2
170	1	24	ASN	HB3	H	2.704		2
171	1	24	ASN	HD21	H	6.956		2
172	1	24	ASN	HD22	H	7.580		2
173	1	25	ALA	H	H	7.716		1
174	1	25	ALA	HA	H	4.018		1
175	1	25	ALA	HB1	H	1.294		1
176	1	25	ALA	HB2	H	1.294		1
177	1	25	ALA	HB3	H	1.294		1
178	1	26	BIL	H	H	7.395		1
179	1	26	BIL	H1D1	H	1.184		1
180	1	26	BIL	H1D2	H	0.826		1
181	1	26	BIL	H1E1	H	0.799		1
182	1	26	BIL	HA	H	2.212		1
183	1	26	BIL	HAA	H	2.465		1
184	1	26	BIL	HB	H	4.207		1
185	1	26	BIL	HG	H	1.629		1
186	1	27	ASN	H	H	7.796		1
187	1	27	ASN	HA	H	4.397		1
188	1	27	ASN	HB2	H	2.840		2
189	1	27	ASN	HB3	H	2.790		2
190	1	27	ASN	HD21	H	6.695		2
191	1	27	ASN	HD22	H	7.541		2
192	1	28	LYS	H	H	7.859		1
193	1	28	LYS	HA	H	4.229		1
194	1	28	LYS	HB2	H	1.921		2
195	1	28	LYS	HB3	H	1.855		2
196	1	28	LYS	HG2	H	1.629		2
197	1	28	LYS	HG3	H	1.629		2
198	1	28	LYS	HD2	H	1.685		2
199	1	28	LYS	HD3	H	1.685		2
200	1	28	LYS	HE2	H	2.968		2
201	1	28	LYS	HE3	H	2.968		2
202	1	29	ALA	H	H	7.795		1
203	1	29	ALA	HA	H	4.301		1
204	1	29	ALA	HB1	H	1.359		1
205	1	29	ALA	HB2	H	1.359		1
206	1	29	ALA	HB3	H	1.359		1
207	1	30	LYS	H	H	8.654		1
208	1	30	LYS	HA	H	4.442		1
209	1	30	LYS	HB2	H	1.925		2
210	1	30	LYS	HB3	H	1.925		2
211	1	30	LYS	HG2	H	1.550		2
212	1	30	LYS	HG3	H	1.493		2
213	1	30	LYS	HD2	H	1.690		2
214	1	30	LYS	HD3	H	1.690		2
215	1	30	LYS	HE2	H	3.021		2
216	1	30	LYS	HE3	H	3.021		2
217	1	31	THR	H	H	7.808		1
218	1	31	THR	HA	H	4.692		1
219	1	31	THR	HB	H	4.650		1
220	1	31	THR	HG21	H	1.262		1
221	1	31	THR	HG22	H	1.262		1
222	1	31	THR	HG23	H	1.262		1
223	1	32	VAL	H	H	8.701		1
224	1	32	VAL	HA	H	3.642		1
225	1	32	VAL	HB	H	2.039		1
226	1	32	VAL	HG11	H	0.946		2
227	1	32	VAL	HG12	H	0.946		2
228	1	32	VAL	HG13	H	0.946		2
229	1	32	VAL	HG21	H	1.032		2
230	1	32	VAL	HG22	H	1.032		2
231	1	32	VAL	HG23	H	1.032		2
232	1	33	GLU	H	H	8.652		1
233	1	33	GLU	HA	H	4.056		1
234	1	33	GLU	HB2	H	2.077		2
235	1	33	GLU	HB3	H	1.974		2
236	1	33	GLU	HG2	H	2.439		2
237	1	33	GLU	HG3	H	2.297		2
238	1	34	GLU	H	H	7.892		1
239	1	34	GLU	HA	H	4.125		1
240	1	34	GLU	HB2	H	2.238		2
241	1	34	GLU	HB3	H	2.062		2
242	1	34	GLU	HG2	H	2.400		2
243	1	34	GLU	HG3	H	2.296		2
244	1	35	VAL	H	H	8.130		1
245	1	35	VAL	HA	H	3.476		1
246	1	35	VAL	HB	H	2.209		1
247	1	35	VAL	HG11	H	0.863		2
248	1	35	VAL	HG12	H	0.863		2
249	1	35	VAL	HG13	H	0.863		2
250	1	35	VAL	HG21	H	0.978		2
251	1	35	VAL	HG22	H	0.978		2
252	1	35	VAL	HG23	H	0.978		2
253	1	36	ASN	H	H	8.386		1
254	1	36	ASN	HA	H	4.424		1
255	1	36	ASN	HB2	H	2.795		2
256	1	36	ASN	HB3	H	2.795		2
257	1	36	ASN	HD21	H	6.819		2
258	1	36	ASN	HD22	H	7.580		2
259	1	37	ALA	H	H	7.824		1
260	1	37	ALA	HA	H	4.250		1
261	1	37	ALA	HB1	H	1.522		1
262	1	37	ALA	HB2	H	1.522		1
263	1	37	ALA	HB3	H	1.522		1
264	1	38	LEU	H	H	7.932		1
265	1	38	LEU	HA	H	4.192		1
266	1	38	LEU	HB2	H	1.552		2
267	1	38	LEU	HB3	H	1.552		2
268	1	38	LEU	HG	H	1.737		1
269	1	38	LEU	HD11	H	0.872		2
270	1	38	LEU	HD12	H	0.872		2
271	1	38	LEU	HD13	H	0.872		2
272	1	38	LEU	HD21	H	0.904		2
273	1	38	LEU	HD22	H	0.904		2
274	1	38	LEU	HD23	H	0.904		2
275	1	39	XCP	H	H	8.175		1
276	1	39	XCP	HA	H	2.588		1
277	1	39	XCP	HB	H	4.269		1
278	1	39	XCP	HD	H	1.618		1
279	1	39	XCP	HDA	H	1.696		1
280	1	39	XCP	HE	H	1.819		1
281	1	39	XCP	HEA	H	1.970		1
282	1	39	XCP	HG	H	1.690		1
283	1	39	XCP	HGA	H	1.964		1
284	1	40	ASN	H	H	7.919		1
285	1	40	ASN	HA	H	4.298		1
286	1	40	ASN	HB2	H	2.922		2
287	1	40	ASN	HB3	H	2.827		2
288	1	40	ASN	HD21	H	6.911		2
289	1	40	ASN	HD22	H	7.642		2
290	1	41	GLU	H	H	8.074		1
291	1	41	GLU	HA	H	4.066		1
292	1	41	GLU	HB2	H	2.372		2
293	1	41	GLU	HB3	H	2.306		2
294	1	41	GLU	HG2	H	2.433		2
295	1	41	GLU	HG3	H	2.433		2
296	1	42	ILE	H	H	8.387		1
297	1	42	ILE	HA	H	3.781		1
298	1	42	ILE	HB	H	1.758		1
299	1	42	ILE	HG12	H	1.744		2
300	1	42	ILE	HG13	H	0.962		2
301	1	42	ILE	HG21	H	0.790		1
302	1	42	ILE	HG22	H	0.790		1
303	1	42	ILE	HG23	H	0.790		1
304	1	42	ILE	HD11	H	0.696		1
305	1	42	ILE	HD12	H	0.696		1
306	1	42	ILE	HD13	H	0.696		1
307	1	43	LEU	H	H	8.422		1
308	1	43	LEU	HA	H	4.022		1
309	1	43	LEU	HB2	H	1.830		2
310	1	43	LEU	HB3	H	1.459		2
311	1	43	LEU	HG	H	1.712		1
312	1	43	LEU	HD11	H	0.786		2
313	1	43	LEU	HD12	H	0.786		2
314	1	43	LEU	HD13	H	0.786		2
315	1	43	LEU	HD21	H	0.786		2
316	1	43	LEU	HD22	H	0.786		2
317	1	43	LEU	HD23	H	0.786		2
318	1	44	LYS	H	H	8.119		1
319	1	44	LYS	HA	H	4.103		1
320	1	44	LYS	HB2	H	1.897		2
321	1	44	LYS	HB3	H	1.897		2
322	1	44	LYS	HG2	H	1.451		2
323	1	44	LYS	HG3	H	1.451		2
324	1	44	LYS	HD2	H	1.669		2
325	1	44	LYS	HD3	H	1.669		2
326	1	44	LYS	HE2	H	2.956		2
327	1	44	LYS	HE3	H	2.956		2
328	1	45	ALA	H	H	7.794		1
329	1	45	ALA	HA	H	4.216		1
330	1	45	ALA	HB1	H	1.449		1
331	1	45	ALA	HB2	H	1.449		1
332	1	45	ALA	HB3	H	1.449		1
333	1	46	HIS	H	H	8.036		1
334	1	46	HIS	HA	H	4.550		1
335	1	46	HIS	HB2	H	3.323		2
336	1	46	HIS	HB3	H	3.040		2
337	1	46	HIS	HD2	H	7.287		1
338	1	46	HIS	HE1	H	8.394		1
339	1	47	ALA	H	H	7.886		1
340	1	47	ALA	HA	H	4.253		1
341	1	47	ALA	HB1	H	1.452		1
342	1	47	ALA	HB2	H	1.452		1
343	1	47	ALA	HB3	H	1.452		1
344	1	48	NH2	HN1	H	7.065		2
345	1	48	NH2	HN2	H	7.394		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 : 14 entities Detail

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail