BMRB: 21069

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

Authors

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

Assembly

Beta-Pro ZEZZ

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 50, 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	62.825	0.009
2	1	1	UVR	CB	C	46.912	0.009
3	1	1	UVR	CD	C	58.514	0.009
4	1	1	UVR	CG	C	32.091	0.009
5	1	1	UVR	H21	H	7.172	0.004	3
6	1	1	UVR	H22	H	7.172	0.004	3
7	1	1	UVR	H31	H	6.973	0.004	3
8	1	1	UVR	H32	H	6.973	0.004	3
9	1	1	UVR	HA	H	4.493	0.004
10	1	1	UVR	HB	H	2.905	0.004
11	1	1	UVR	HD	H	3.678	0.004
12	1	1	UVR	HG1	H	1.993	0.004
13	1	1	UVR	HG2	H	1.675	0.004
14	1	2	UVR	CA	C	61.931	0.009
15	1	2	UVR	CB	C	46.431	0.009
16	1	2	UVR	CD	C	57.915	0.009
17	1	2	UVR	CG	C	30.202	0.009
18	1	2	UVR	H21	H	7.702	0.004	3
19	1	2	UVR	H22	H	7.702	0.004	3
20	1	2	UVR	H31	H	7.037	0.004	3
21	1	2	UVR	H32	H	7.037	0.004	3
22	1	2	UVR	HA	H	5.247	0.004
23	1	2	UVR	HB	H	3.164	0.004
24	1	2	UVR	HD	H	3.400	0.004
25	1	2	UVR	HG1	H	2.025	0.004	1
26	1	2	UVR	HG2	H	2.025	0.004	1
27	1	3	UVR	CA	C	63.525	0.009
28	1	3	UVR	CB	C	44.326	0.009
29	1	3	UVR	CD	C	59.275	0.009
30	1	3	UVR	CG	C	31.950	0.009
31	1	3	UVR	H21	H	7.270	0.004	3
32	1	3	UVR	H22	H	7.270	0.004	3
33	1	3	UVR	HA	H	5.529	0.004
34	1	3	UVR	HB	H	3.095	0.004
35	1	3	UVR	HD	H	5.107	0.004
36	1	3	UVR	HG1	H	2.135	0.004
37	1	3	UVR	HG2	H	2.415	0.004
38	1	4	UVR	CA	C	60.097	0.009
39	1	4	UVR	CB	C	46.762	0.009
40	1	4	UVR	CD	C	58.278	0.009
41	1	4	UVR	CG	C	28.897	0.009
42	1	4	UVR	H21	H	7.589	0.004	3
43	1	4	UVR	H22	H	7.589	0.004	3
44	1	4	UVR	HA	H	5.616	0.004
45	1	4	UVR	HB	H	2.834	0.004
46	1	4	UVR	HD	H	3.096	0.004
47	1	4	UVR	HG1	H	1.975	0.004
48	1	4	UVR	HG2	H	1.508	0.004
49	1	5	UVR	CA	C	61.163	0.009
50	1	5	UVR	CB	C	49.576	0.009
51	1	5	UVR	CD	C	58.753	0.009
52	1	5	UVR	CG	C	28.413	0.009
53	1	5	UVR	H21	H	7.711	0.004	3
54	1	5	UVR	H22	H	7.711	0.004	3
55	1	5	UVR	H31	H	7.440	0.004	3
56	1	5	UVR	H32	H	7.440	0.004	3
57	1	5	UVR	HA	H	5.827	0.004
58	1	5	UVR	HB	H	3.567	0.004
59	1	5	UVR	HD	H	3.777	0.004
60	1	5	UVR	HG1	H	2.145	0.004
61	1	5	UVR	HG2	H	2.303	0.004
62	1	5	UVR	CT1	C	27.067	0.009	1
63	1	5	UVR	CT2	C	27.067	0.009	1
64	1	5	UVR	CT3	C	27.067	0.009	1
65	1	5	UVR	HT11	H	1.109	0.004	1
66	1	5	UVR	HT12	H	1.109	0.004	1
67	1	5	UVR	HT13	H	1.109	0.004	1
68	1	5	UVR	HT21	H	1.109	0.004	1
69	1	5	UVR	HT22	H	1.109	0.004	1
70	1	5	UVR	HT23	H	1.109	0.004	1
71	1	5	UVR	HT31	H	1.109	0.004	1
72	1	5	UVR	HT32	H	1.109	0.004	1
73	1	5	UVR	HT33	H	1.109	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, PubMed

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