BMRB: 31161

Backbone Modification in the GA Module of Protein PAB: ACPC 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, 5117.826 Da Detail

LKNAKEDAIA ELKKAGITSD FXFNAXNKAK TVEEVNALKN EILKAHAX

Formula weight

5117.826 Da

Source organism

Finegoldia magna

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 346 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	4.253		1
2	1	1	LEU	HB2	H	1.736		2
3	1	1	LEU	HB3	H	1.671		2
4	1	1	LEU	HG	H	1.742		1
5	1	1	LEU	HD11	H	0.891		2
6	1	1	LEU	HD12	H	0.891		2
7	1	1	LEU	HD13	H	0.891		2
8	1	1	LEU	HD21	H	0.933		2
9	1	1	LEU	HD22	H	0.933		2
10	1	1	LEU	HD23	H	0.933		2
11	1	2	LYS	H	H	8.129		1
12	1	2	LYS	HA	H	4.189		1
13	1	2	LYS	HB2	H	1.811		2
14	1	2	LYS	HB3	H	1.811		2
15	1	2	LYS	HG2	H	1.467		2
16	1	2	LYS	HG3	H	1.467		2
17	1	2	LYS	HD2	H	1.685		2
18	1	2	LYS	HD3	H	1.685		2
19	1	2	LYS	HE2	H	2.975		2
20	1	2	LYS	HE3	H	2.975		2
21	1	3	ASN	H	H	8.678		1
22	1	3	ASN	HA	H	4.649		1
23	1	3	ASN	HB2	H	2.954		2
24	1	3	ASN	HB3	H	2.818		2
25	1	3	ASN	HD21	H	7.082		2
26	1	3	ASN	HD22	H	7.771		2
27	1	4	ALA	H	H	8.250		1
28	1	4	ALA	HA	H	4.175		1
29	1	4	ALA	HB1	H	1.410		1
30	1	4	ALA	HB2	H	1.410		1
31	1	4	ALA	HB3	H	1.410		1
32	1	5	LYS	H	H	8.361		1
33	1	5	LYS	HA	H	3.819		1
34	1	5	LYS	HB2	H	1.915		2
35	1	5	LYS	HB3	H	1.761		2
36	1	5	LYS	HG2	H	1.403		2
37	1	5	LYS	HG3	H	1.281		2
38	1	5	LYS	HD2	H	1.806		2
39	1	5	LYS	HD3	H	1.696		2
40	1	5	LYS	HE2	H	3.142		2
41	1	5	LYS	HE3	H	2.774		2
42	1	6	GLU	H	H	8.181		1
43	1	6	GLU	HA	H	3.901		1
44	1	6	GLU	HB2	H	2.035		2
45	1	6	GLU	HB3	H	2.035		2
46	1	6	GLU	HG2	H	2.415		2
47	1	6	GLU	HG3	H	2.266		2
48	1	7	ASP	H	H	8.544		1
49	1	7	ASP	HA	H	4.426		1
50	1	7	ASP	HB2	H	2.686		2
51	1	7	ASP	HB3	H	2.686		2
52	1	8	ALA	H	H	8.032		1
53	1	8	ALA	HA	H	4.121		1
54	1	8	ALA	HB1	H	1.420		1
55	1	8	ALA	HB2	H	1.420		1
56	1	8	ALA	HB3	H	1.420		1
57	1	9	ILE	H	H	8.424		1
58	1	9	ILE	HA	H	3.547		1
59	1	9	ILE	HB	H	1.834		1
60	1	9	ILE	HG12	H	1.786		2
61	1	9	ILE	HG13	H	1.111		2
62	1	9	ILE	HG21	H	0.567		1
63	1	9	ILE	HG22	H	0.567		1
64	1	9	ILE	HG23	H	0.567		1
65	1	9	ILE	HD11	H	0.840		1
66	1	9	ILE	HD12	H	0.840		1
67	1	9	ILE	HD13	H	0.840		1
68	1	10	ALA	H	H	8.024		1
69	1	10	ALA	HA	H	4.055		1
70	1	10	ALA	HB1	H	1.522		1
71	1	10	ALA	HB2	H	1.522		1
72	1	10	ALA	HB3	H	1.522		1
73	1	11	GLU	H	H	8.019		1
74	1	11	GLU	HA	H	4.026		1
75	1	11	GLU	HB2	H	2.253		2
76	1	11	GLU	HB3	H	2.123		2
77	1	11	GLU	HG2	H	2.471		2
78	1	11	GLU	HG3	H	2.207		2
79	1	12	LEU	H	H	8.465		1
80	1	12	LEU	HA	H	4.039		1
81	1	12	LEU	HB2	H	2.370		2
82	1	12	LEU	HB3	H	1.328		2
83	1	12	LEU	HG	H	2.164		1
84	1	12	LEU	HD11	H	0.853		2
85	1	12	LEU	HD12	H	0.853		2
86	1	12	LEU	HD13	H	0.853		2
87	1	12	LEU	HD21	H	0.876		2
88	1	12	LEU	HD22	H	0.876		2
89	1	12	LEU	HD23	H	0.876		2
90	1	13	LYS	H	H	8.573		1
91	1	13	LYS	HA	H	4.368		1
92	1	13	LYS	HB2	H	1.857		2
93	1	13	LYS	HB3	H	1.857		2
94	1	13	LYS	HG2	H	1.408		2
95	1	13	LYS	HG3	H	1.408		2
96	1	13	LYS	HE2	H	2.891		2
97	1	13	LYS	HE3	H	2.891		2
98	1	14	LYS	H	H	8.180		1
99	1	14	LYS	HA	H	4.069		1
100	1	14	LYS	HB2	H	1.987		2
101	1	14	LYS	HB3	H	1.927		2
102	1	14	LYS	HG2	H	1.474		2
103	1	14	LYS	HG3	H	1.474		2
104	1	14	LYS	HD2	H	1.700		2
105	1	14	LYS	HD3	H	1.700		2
106	1	14	LYS	HE2	H	2.969		2
107	1	14	LYS	HE3	H	2.969		2
108	1	15	ALA	H	H	7.587		1
109	1	15	ALA	HA	H	4.375		1
110	1	15	ALA	HB1	H	1.519		1
111	1	15	ALA	HB2	H	1.519		1
112	1	15	ALA	HB3	H	1.519		1
113	1	16	GLY	H	H	7.787		1
114	1	16	GLY	HA2	H	4.444		2
115	1	16	GLY	HA3	H	3.708		2
116	1	17	ILE	H	H	7.843		1
117	1	17	ILE	HA	H	3.856		1
118	1	17	ILE	HB	H	1.704		1
119	1	17	ILE	HG12	H	0.996		2
120	1	17	ILE	HG13	H	0.996		2
121	1	17	ILE	HG21	H	0.661		1
122	1	17	ILE	HG22	H	0.661		1
123	1	17	ILE	HG23	H	0.661		1
124	1	17	ILE	HD11	H	0.529		1
125	1	17	ILE	HD12	H	0.529		1
126	1	17	ILE	HD13	H	0.529		1
127	1	18	THR	H	H	8.403		1
128	1	18	THR	HA	H	4.607		1
129	1	18	THR	HB	H	4.437		1
130	1	18	THR	HG21	H	1.169		1
131	1	18	THR	HG22	H	1.169		1
132	1	18	THR	HG23	H	1.169		1
133	1	19	SER	H	H	7.018		1
134	1	19	SER	HA	H	4.292		1
135	1	19	SER	HB2	H	3.888		2
136	1	19	SER	HB3	H	3.456		2
137	1	20	ASP	H	H	8.719		1
138	1	20	ASP	HA	H	4.363		1
139	1	20	ASP	HB2	H	2.608		2
140	1	20	ASP	HB3	H	2.537		2
141	1	21	PHE	H	H	7.854		1
142	1	21	PHE	HA	H	4.246		1
143	1	21	PHE	HB2	H	3.079		2
144	1	21	PHE	HB3	H	2.897		2
145	1	21	PHE	HD1	H	7.202		3
146	1	21	PHE	HD2	H	7.202		3
147	1	21	PHE	HE1	H	7.347		3
148	1	21	PHE	HE2	H	7.347		3
149	1	22	XCP	H	H	7.211		1
150	1	22	XCP	HA	H	2.518		1
151	1	22	XCP	HB	H	4.179		1
152	1	22	XCP	HD	H	1.704		1
153	1	22	XCP	HDA	H	1.704		1
154	1	22	XCP	HE	H	1.464		1
155	1	22	XCP	HEA	H	1.866		1
156	1	22	XCP	HG	H	1.379		1
157	1	22	XCP	HGA	H	2.051		1
158	1	23	PHE	H	H	7.693		1
159	1	23	PHE	HA	H	4.231		1
160	1	23	PHE	HB2	H	3.298		2
161	1	23	PHE	HB3	H	3.136		2
162	1	23	PHE	HD1	H	7.165		3
163	1	23	PHE	HD2	H	7.165		3
164	1	23	PHE	HE1	H	7.130		3
165	1	23	PHE	HE2	H	7.130		3
166	1	23	PHE	HZ	H	7.226		1
167	1	24	ASN	H	H	8.596		1
168	1	24	ASN	HA	H	4.562		1
169	1	24	ASN	HB2	H	2.951		2
170	1	24	ASN	HB3	H	2.770		2
171	1	24	ASN	HD21	H	7.081		2
172	1	24	ASN	HD22	H	7.673		2
173	1	25	ALA	H	H	7.368		1
174	1	25	ALA	HA	H	3.974		1
175	1	25	ALA	HB1	H	1.421		1
176	1	25	ALA	HB2	H	1.421		1
177	1	25	ALA	HB3	H	1.421		1
178	1	26	XCP	H	H	7.100		1
179	1	26	XCP	HA	H	2.884		1
180	1	26	XCP	HB	H	4.187		1
181	1	26	XCP	HD	H	1.407		1
182	1	26	XCP	HDA	H	1.407		1
183	1	26	XCP	HE	H	1.543		1
184	1	26	XCP	HEA	H	1.682		1
185	1	26	XCP	HG	H	1.932		1
186	1	26	XCP	HGA	H	1.932		1
187	1	27	ASN	H	H	7.991		1
188	1	27	ASN	HA	H	4.385		1
189	1	27	ASN	HB2	H	2.885		2
190	1	27	ASN	HB3	H	2.837		2
191	1	27	ASN	HD21	H	7.007		2
192	1	27	ASN	HD22	H	7.647		2
193	1	28	LYS	H	H	7.784		1
194	1	28	LYS	HA	H	4.141		1
195	1	28	LYS	HB2	H	1.875		2
196	1	28	LYS	HB3	H	1.875		2
197	1	28	LYS	HG2	H	1.515		2
198	1	28	LYS	HG3	H	1.515		2
199	1	28	LYS	HD2	H	1.625		2
200	1	28	LYS	HD3	H	1.625		2
201	1	28	LYS	HE2	H	2.947		2
202	1	28	LYS	HE3	H	2.947		2
203	1	29	ALA	H	H	7.459		1
204	1	29	ALA	HA	H	4.123		1
205	1	29	ALA	HB1	H	1.470		1
206	1	29	ALA	HB2	H	1.470		1
207	1	29	ALA	HB3	H	1.470		1
208	1	30	LYS	H	H	9.046		1
209	1	30	LYS	HA	H	4.385		1
210	1	30	LYS	HB2	H	1.981		2
211	1	30	LYS	HB3	H	1.912		2
212	1	30	LYS	HG2	H	1.683		2
213	1	30	LYS	HG3	H	1.514		2
214	1	30	LYS	HD2	H	1.754		2
215	1	30	LYS	HD3	H	1.754		2
216	1	30	LYS	HE2	H	3.070		2
217	1	30	LYS	HE3	H	3.070		2
218	1	31	THR	H	H	7.411		1
219	1	31	THR	HA	H	4.777		1
220	1	31	THR	HB	H	4.703		1
221	1	31	THR	HG21	H	1.256		1
222	1	31	THR	HG22	H	1.256		1
223	1	31	THR	HG23	H	1.256		1
224	1	32	VAL	H	H	9.042		1
225	1	32	VAL	HA	H	3.539		1
226	1	32	VAL	HB	H	2.060		1
227	1	32	VAL	HG11	H	0.956		2
228	1	32	VAL	HG12	H	0.956		2
229	1	32	VAL	HG13	H	0.956		2
230	1	32	VAL	HG21	H	1.063		2
231	1	32	VAL	HG22	H	1.063		2
232	1	32	VAL	HG23	H	1.063		2
233	1	33	GLU	H	H	8.795		1
234	1	33	GLU	HA	H	4.083		1
235	1	33	GLU	HB2	H	2.112		2
236	1	33	GLU	HB3	H	1.958		2
237	1	33	GLU	HG2	H	2.470		2
238	1	33	GLU	HG3	H	2.299		2
239	1	34	GLU	H	H	8.086		1
240	1	34	GLU	HA	H	4.177		1
241	1	34	GLU	HB2	H	2.335		2
242	1	34	GLU	HB3	H	2.168		2
243	1	34	GLU	HG2	H	2.476		2
244	1	34	GLU	HG3	H	2.476		2
245	1	35	VAL	H	H	8.317		1
246	1	35	VAL	HA	H	3.284		1
247	1	35	VAL	HB	H	2.384		1
248	1	35	VAL	HG11	H	0.787		2
249	1	35	VAL	HG12	H	0.787		2
250	1	35	VAL	HG13	H	0.787		2
251	1	35	VAL	HG21	H	0.998		2
252	1	35	VAL	HG22	H	0.998		2
253	1	35	VAL	HG23	H	0.998		2
254	1	36	ASN	H	H	7.962		1
255	1	36	ASN	HA	H	4.334		1
256	1	36	ASN	HB2	H	2.808		2
257	1	36	ASN	HB3	H	2.808		2
258	1	36	ASN	HD21	H	7.057		2
259	1	36	ASN	HD22	H	7.712		2
260	1	37	ALA	H	H	8.174		1
261	1	37	ALA	HA	H	4.192		1
262	1	37	ALA	HB1	H	1.539		1
263	1	37	ALA	HB2	H	1.539		1
264	1	37	ALA	HB3	H	1.539		1
265	1	38	LEU	H	H	8.751		1
266	1	38	LEU	HA	H	4.167		1
267	1	38	LEU	HB2	H	1.904		2
268	1	38	LEU	HB3	H	1.463		2
269	1	38	LEU	HG	H	1.901		1
270	1	38	LEU	HD11	H	0.891		2
271	1	38	LEU	HD12	H	0.891		2
272	1	38	LEU	HD13	H	0.891		2
273	1	38	LEU	HD21	H	0.939		2
274	1	38	LEU	HD22	H	0.939		2
275	1	38	LEU	HD23	H	0.939		2
276	1	39	LYS	H	H	8.599		1
277	1	39	LYS	HA	H	3.787		1
278	1	39	LYS	HB2	H	2.016		2
279	1	39	LYS	HB3	H	2.016		2
280	1	39	LYS	HG2	H	1.503		2
281	1	39	LYS	HG3	H	1.300		2
282	1	39	LYS	HD2	H	1.800		2
283	1	39	LYS	HD3	H	1.545		2
284	1	39	LYS	HE2	H	2.966		2
285	1	39	LYS	HE3	H	2.800		2
286	1	40	ASN	H	H	8.102		1
287	1	40	ASN	HA	H	4.495		1
288	1	40	ASN	HB2	H	2.931		2
289	1	40	ASN	HB3	H	2.779		2
290	1	40	ASN	HD21	H	6.975		2
291	1	40	ASN	HD22	H	7.586		2
292	1	41	GLU	H	H	8.100		1
293	1	41	GLU	HA	H	4.093		1
294	1	41	GLU	HB2	H	2.216		2
295	1	41	GLU	HB3	H	2.216		2
296	1	41	GLU	HG2	H	2.413		2
297	1	41	GLU	HG3	H	2.349		2
298	1	42	ILE	H	H	8.504		1
299	1	42	ILE	HA	H	3.796		1
300	1	42	ILE	HB	H	1.847		1
301	1	42	ILE	HG12	H	1.061		2
302	1	42	ILE	HG13	H	0.803		2
303	1	42	ILE	HG21	H	0.869		1
304	1	42	ILE	HG22	H	0.869		1
305	1	42	ILE	HG23	H	0.869		1
306	1	42	ILE	HD11	H	0.947		1
307	1	42	ILE	HD12	H	0.947		1
308	1	42	ILE	HD13	H	0.947		1
309	1	43	LEU	H	H	8.453		1
310	1	43	LEU	HA	H	4.055		1
311	1	43	LEU	HB2	H	1.962		2
312	1	43	LEU	HB3	H	1.518		2
313	1	43	LEU	HG	H	1.796		1
314	1	43	LEU	HD11	H	0.824		2
315	1	43	LEU	HD12	H	0.824		2
316	1	43	LEU	HD13	H	0.824		2
317	1	43	LEU	HD21	H	0.879		2
318	1	43	LEU	HD22	H	0.879		2
319	1	43	LEU	HD23	H	0.879		2
320	1	44	LYS	H	H	8.085		1
321	1	44	LYS	HA	H	4.104		1
322	1	44	LYS	HB2	H	1.926		2
323	1	44	LYS	HB3	H	1.926		2
324	1	44	LYS	HG2	H	1.417		2
325	1	44	LYS	HG3	H	1.417		2
326	1	44	LYS	HD2	H	1.691		2
327	1	44	LYS	HD3	H	1.691		2
328	1	44	LYS	HE2	H	2.966		2
329	1	44	LYS	HE3	H	2.966		2
330	1	45	ALA	H	H	7.957		1
331	1	45	ALA	HA	H	4.218		1
332	1	45	ALA	HB1	H	1.506		1
333	1	45	ALA	HB2	H	1.506		1
334	1	45	ALA	HB3	H	1.506		1
335	1	46	HIS	H	H	8.132		1
336	1	46	HIS	HA	H	4.475		1
337	1	46	HIS	HB2	H	3.301		2
338	1	46	HIS	HB3	H	3.125		2
339	1	46	HIS	HD2	H	7.265		1
340	1	47	ALA	H	H	7.841		1
341	1	47	ALA	HA	H	4.179		1
342	1	47	ALA	HB1	H	1.496		1
343	1	47	ALA	HB2	H	1.496		1
344	1	47	ALA	HB3	H	1.496		1
345	1	48	NH2	HN1	H	7.265		2
346	1	48	NH2	HN2	H	7.349		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