BMRB: 21068

Beta-proline alternating homopentamer made of 5-phenylpyrrolidine-2,4-dicarboxylate monomeric units. ZZEZ conformation.

Authors

Mantsyzov, A.B., Polshakov, V.I., Kudryavtsev, K.V.

Assembly

Beta-Pro ZZEZ

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 55, ¹³C: 23 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	UVR	CA	C	63.198	0.009
2	1	1	UVR	CB	C	46.676	0.009
3	1	1	UVR	CD	C	58.893	0.009
4	1	1	UVR	CG	C	32.552	0.009
5	1	1	UVR	H21	H	7.413	0.004	3
6	1	1	UVR	H22	H	7.413	0.004	3
7	1	1	UVR	H31	H	7.049	0.004	3
8	1	1	UVR	H32	H	7.049	0.004	3
9	1	1	UVR	HA	H	4.750	0.004
10	1	1	UVR	HB	H	2.978	0.004
11	1	1	UVR	HD	H	3.633	0.004
12	1	1	UVR	HG1	H	1.719	0.004
13	1	1	UVR	HG2	H	2.089	0.004
14	1	1	UVR	HZ1	H	3.822	0.004	1
15	1	1	UVR	HZ2	H	3.822	0.004	1
16	1	1	UVR	HZ3	H	3.822	0.004	1
17	1	2	UVR	CA	C	60.754	0.009
18	1	2	UVR	CB	C	46.821	0.009
19	1	2	UVR	CD	C	57.936	0.009
20	1	2	UVR	CG	C	28.346	0.009
21	1	2	UVR	H21	H	7.329	0.004	3
22	1	2	UVR	H22	H	7.329	0.004	3
23	1	2	UVR	HA	H	5.172	0.004
24	1	2	UVR	HB	H	2.638	0.004
25	1	2	UVR	HD	H	2.981	0.004
26	1	2	UVR	HG1	H	1.670	0.004
27	1	2	UVR	HG2	H	2.083	0.004
28	1	3	UVR	CA	C	62.010	0.009
29	1	3	UVR	CB	C	47.040	0.009
30	1	3	UVR	CD	C	58.395	0.009
31	1	3	UVR	CG	C	29.507	0.009
32	1	3	UVR	H21	H	7.652	0.004	3
33	1	3	UVR	H22	H	7.652	0.004	3
34	1	3	UVR	H31	H	6.955	0.004	3
35	1	3	UVR	H32	H	6.955	0.004	3
36	1	3	UVR	HA	H	5.662	0.004
37	1	3	UVR	HB	H	3.644	0.004
38	1	3	UVR	HD	H	3.585	0.004
39	1	3	UVR	HG1	H	1.944	0.004
40	1	3	UVR	HG2	H	2.148	0.004
41	1	4	UVR	CA	C	64.218	0.009
42	1	4	UVR	CB	C	44.745	0.009
43	1	4	UVR	CD	C	60.277	0.009
44	1	4	UVR	CG	C	31.652	0.009
45	1	4	UVR	H21	H	7.485	0.004	3
46	1	4	UVR	H22	H	7.485	0.004	3
47	1	4	UVR	H31	H	7.366	0.004	3
48	1	4	UVR	H32	H	7.366	0.004	3
49	1	4	UVR	HA	H	5.434	0.004
50	1	4	UVR	HB	H	3.155	0.004
51	1	4	UVR	HD	H	5.516	0.004
52	1	4	UVR	HG1	H	2.297	0.004
53	1	4	UVR	HG2	H	2.520	0.004
54	1	5	UVR	CA	C	61.683	0.009
55	1	5	UVR	CB	C	48.844	0.009
56	1	5	UVR	CD	C	58.128	0.009
57	1	5	UVR	CG	C	27.603	0.009
58	1	5	UVR	H21	H	7.575	0.004	3
59	1	5	UVR	H22	H	7.575	0.004	3
60	1	5	UVR	H31	H	7.351	0.004	3
61	1	5	UVR	H32	H	7.351	0.004	3
62	1	5	UVR	HA	H	4.794	0.004
63	1	5	UVR	HB	H	2.403	0.004
64	1	5	UVR	HD	H	3.538	0.004
65	1	5	UVR	HG1	H	1.946	0.004
66	1	5	UVR	HG2	H	2.015	0.004
67	1	5	UVR	CT1	C	27.067	0.009	1
68	1	5	UVR	CT2	C	27.067	0.009	1
69	1	5	UVR	CT3	C	27.067	0.009	1
70	1	5	UVR	HT11	H	1.103	0.004	1
71	1	5	UVR	HT12	H	1.103	0.004	1
72	1	5	UVR	HT13	H	1.103	0.004	1
73	1	5	UVR	HT21	H	1.103	0.004	1
74	1	5	UVR	HT22	H	1.103	0.004	1
75	1	5	UVR	HT23	H	1.103	0.004	1
76	1	5	UVR	HT31	H	1.103	0.004	1
77	1	5	UVR	HT32	H	1.103	0.004	1
78	1	5	UVR	HT33	H	1.103	0.004	1

Release date

2016-05-22

Citation 1

Theoretical and NMR Conformational Studies of β-Proline Oligopeptides With Alternating Chirality of Pyrrolidine Units
Mantsyzov, A.B., Savelyev, O.Y., Ivantcova, P.M., Brase, S., Kudryavtsev, K.V., Polshakov, V.I.
Front. Chem. (2018), 6, 91-91, PubMed 29644215 , DOI 10.3389/fchem.2018.00091 , Abstract

Show more 2 citaions

Citation 2

Structural Studies and Anticancer Activity of a Novel Class of beta- Peptides
Kudryavtsev, K.V., Yu, C., Ivantcova, P.M., Polshakov, V.I., Churakov, A.V., Brase, S., Zefirov, N.S., Guh, J.
Chem Asian J (2015), 10, 383-389

Citation 3

Alternating asymmetric self-induction in functionalized pyrrolidine oligomers
Kudryavtsev, K.V., Ivantcova, P.M., Churakov, A.V., Wiedmann, S., Luy, B., Muhle-Goll, C., Zefirov, N.S., Brase, S.
Angew. Chem Int Ed Engl. (2013), 52, 12736-12740, PubMed 24123659 , DOI 10.1002/anie.201302862 , Abstract

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Entries sharing articles BMRB: 9 entries Detail

Experiments performed 6 experiments Detail

Chemical shift validation 3 contents Detail