BMRB: 21064

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

Authors

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

Assembly

Beta-Pro EZZ

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chemcal Shifts

¹H: 45, 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	C	C	172.041	0.009
2	1	1	UVR	CA	C	63.987	0.009
3	1	1	UVR	CB	C	45.336	0.009
4	1	1	UVR	CD	C	58.401	0.009
5	1	1	UVR	CG	C	34.380	0.009
6	1	1	UVR	H21	H	7.405	0.004	3
7	1	1	UVR	H22	H	7.405	0.004	3
8	1	1	UVR	H31	H	7.107	0.004	3
9	1	1	UVR	H32	H	7.107	0.004	3
10	1	1	UVR	HA	H	4.200	0.004
11	1	1	UVR	HB	H	3.287	0.004
12	1	1	UVR	HD	H	3.849	0.004
13	1	1	UVR	HG1	H	2.407	0.004
14	1	1	UVR	HG2	H	1.924	0.004
15	1	2	UVR	C	C	168.885	0.009
16	1	2	UVR	C21	C	126.169	0.009	3
17	1	2	UVR	C22	C	126.169	0.009	3
18	1	2	UVR	CA	C	62.790	0.009
19	1	2	UVR	CB	C	44.194	0.009
20	1	2	UVR	CD	C	59.043	0.009
21	1	2	UVR	CG	C	31.837	0.009
22	1	2	UVR	H21	H	7.199	0.004	3
23	1	2	UVR	H22	H	7.199	0.004	3
24	1	2	UVR	H31	H	6.952	0.004	3
25	1	2	UVR	H32	H	6.952	0.004	3
26	1	2	UVR	HA	H	5.504	0.004
27	1	2	UVR	HB	H	3.119	0.004
28	1	2	UVR	HD	H	4.755	0.004
29	1	2	UVR	HG1	H	2.058	0.004
30	1	2	UVR	HG2	H	2.300	0.004
31	1	3	UVR	CA	C	60.075	0.009
32	1	3	UVR	CB	C	46.690	0.009
33	1	3	UVR	CD	C	58.166	0.009
34	1	3	UVR	CG	C	28.841	0.009
35	1	3	UVR	H21	H	7.597	0.004	3
36	1	3	UVR	H22	H	7.597	0.004	3
37	1	3	UVR	H31	H	7.346	0.004	3
38	1	3	UVR	H32	H	7.346	0.004	3
39	1	3	UVR	HA	H	5.703	0.004
40	1	3	UVR	HB	H	2.870	0.004
41	1	3	UVR	HD	H	2.994	0.004
42	1	3	UVR	HG1	H	1.976	0.004
43	1	3	UVR	HG2	H	1.514	0.004
44	1	4	UVR	CA	C	61.101	0.009
45	1	4	UVR	CB	C	49.631	0.009
46	1	4	UVR	CD	C	58.777	0.009
47	1	4	UVR	CG	C	28.387	0.009
48	1	4	UVR	H21	H	7.732	0.004	3
49	1	4	UVR	H22	H	7.732	0.004	3
50	1	4	UVR	H31	H	7.443	0.004	3
51	1	4	UVR	H32	H	7.443	0.004	3
52	1	4	UVR	HA	H	5.903	0.004
53	1	4	UVR	HB	H	3.580	0.004
54	1	4	UVR	HD	H	3.780	0.004
55	1	4	UVR	HG1	H	2.315	0.004
56	1	4	UVR	HG2	H	2.150	0.004
57	1	4	UVR	CT1	C	27.047	0.009	1
58	1	4	UVR	CT2	C	27.047	0.009	1
59	1	4	UVR	CT3	C	27.047	0.009	1
60	1	4	UVR	HT11	H	1.119	0.004	1
61	1	4	UVR	HT12	H	1.119	0.004	1
62	1	4	UVR	HT13	H	1.119	0.004	1
63	1	4	UVR	HT21	H	1.119	0.004	1
64	1	4	UVR	HT22	H	1.119	0.004	1
65	1	4	UVR	HT23	H	1.119	0.004	1
66	1	4	UVR	HT31	H	1.119	0.004	1
67	1	4	UVR	HT32	H	1.119	0.004	1
68	1	4	UVR	HT33	H	1.119	0.004	1

Release date

2016-05-21

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