BMRB: 17154

Thiostrepton (oxidized 9:CA-CB)

Authors

Jonker, H.R.A., Baumann, S., Wolf, A., Schoof, S., Hiller, F., Schulte, K.W., Kirschner, K.N., Schwalbe, H., Arndt, H.

Assembly

Thiostrepton(oxi,9)

Entity

1. Thiostrepton(oxi,9) (polymer, Thiol state: all free), 18 monomers, 1734.906 Da Detail

XIAXASXTXX XXTXXXXX

Formula weight

1734.906 Da

Entity Connection

peptide 10, ester 1, covalent 14 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	ester	sing	1:THR13:OG1	1:QUA1:C11
2	covalent	sing	1:QUA1:C7	1:ILE2:N
3	peptide	sing	1:ILE2:C	1:ALA3:N
4	peptide	sing	1:ALA3:C	1:DHA4:N
5	peptide	sing	1:DHA4:C	1:ALA5:N
6	peptide	sing	1:ALA5:C	1:SER6:N
7	covalent	sing	1:SER6:C	1:BB97:SG
8	covalent	doub	1:SER6:C	1:BB97:N
9	covalent	sing	1:SER6:CA	1:BB914:C
10	covalent	sing	1:SER6:CB	1:MH615:CB
11	peptide	sing	1:BB97:C	1:THR8:N
12	peptide	sing	1:THR8:C	1:DBU9:N
13	covalent	sing	1:DBU9:C	1:BB910:SG
14	covalent	doub	1:DBU9:C	1:BB910:N
15	peptide	sing	1:BB910:C	1:TS911:N
16	covalent	sing	1:TS911:C	1:BB912:SG
17	covalent	doub	1:TS911:C	1:BB912:SG
18	peptide	sing	1:BB912:C	1:THR13:N
19	covalent	sing	1:THR13:C	1:BB914:SG
20	covalent	doub	1:THR13:C	1:BB914:N
21	covalent	sing	1:BB914:C	1:MH615:N
22	covalent	sing	1:MH615:C	1:BB916:SG
23	covalent	doub	1:MH615:C	1:BB916:N
24	peptide	sing	1:BB916:C	1:DHA17:N
25	peptide	sing	1:DHA17:C	1:NH218:N

Source organism

Streptomyces azureus

Exptl. method

solution NMR

Refine. method

simulated annealing, torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 33.3 %, Completeness: 94.4 %, Completeness (bb): 91.7 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	94.4 % (51 of 54)	92.0 % (23 of 25)	100.0 % (23 of 23)	83.3 % (5 of 6)
Backbone	91.7 % (33 of 36)	83.3 % (10 of 12)	100.0 % (18 of 18)	83.3 % (5 of 6)
Sidechain	100.0 % (24 of 24)	100.0 % (13 of 13)	100.0 % (11 of 11)
Methyl	100.0 % (12 of 12)	100.0 % (6 of 6)	100.0 % (6 of 6)

1. thiostrepton (oxi-9)

XIAXASXTXX XXTXXX

Show sample condition

Sample

Solvent system chloroform-d/ethanol-d5 5:1, Pressure 1 atm, Temperature 298 K

#	Name	Isotope labeling	Type	Concentration
1	thiostrepton (oxi,9)	natural abundance		10 mM
2	chloroform-d	natural abundance		83 %
3	ethanol-d5	natural abundance		17 %

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Protein Blocks Logo

Calculated from 20 models in PDB: 2L2X, Strand ID: A Detail

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Release date

2015-07-23

Citation

NMR structures of thiostrepton derivatives for characterization of the ribosomal binding site
Jonker, H.R.A., Baumann, S., Wolf, A., Schoof, S., Hiller, F., Schulte, K.W., Kirschner, K.N., Schwalbe, H., Arndt, H.
Angew. Chem Int Ed Engl. (2011), 50, 3308-3312, PubMed 21365717 , DOI 10.1002/anie.201003582 , Abstract

Entries sharing articles BMRB: 3 entries Detail

Experiments performed 7 experiments Detail