BMRBj - BMREntryMaster

2L2Y

Thiostrepton (epimer 9:CA)

Authors

Assembly

Thiostrepton(epi,9)

Entity

1. Thiostrepton(epi,9) (polymer, Thiol state: all free), 18 monomers, 1736.922 Da Detail

XIAXASXTXC XXTXXXXX

Formula weight

1736.922 Da

Entity Connection

peptide 10, ester 1, covalent 14 Detail

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:CYS10:SG
14	covalent	doub	1:DBU9:C	1:CYS10:N
15	peptide	sing	1:CYS10: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: 38.9 %, Completeness: 91.9 %, Completeness (bb): 88.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	91.9 % (57 of 62)	89.7 % (26 of 29)	100.0 % (26 of 26)	71.4 % (5 of 7)
Backbone	88.1 % (37 of 42)	78.6 % (11 of 14)	100.0 % (21 of 21)	71.4 % (5 of 7)
Sidechain	100.0 % (27 of 27)	100.0 % (15 of 15)	100.0 % (12 of 12)
Methyl	100.0 % (12 of 12)	100.0 % (6 of 6)	100.0 % (6 of 6)

1. thiostrepton (epi-9)

XIAXASXTXC XXTXXX

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

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

Protein Blocks Logo

Calculated from 20 models in PDB: 2L2Y, Strand ID: A Detail

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

1 2D 1H-15N HSQC