BMRB: 5860

Structure of Subtilosin A, an Antimicrobial Peptide from Bacillus subtilis with Unusual Post-translational Modifications Linking Cysteine Sulfurs to alpha-Carbons of Phenylalanine and Threonine

Authors

Kawulka, K., Sprules, T., McKay, R.T., Mercier, P., Diaper, C.M., Zuber, P., Vederas, J.C.

Assembly

Subtilosin A

Entity

1. Subtilosin A (polymer, Thiol state: free and other bound), 35 monomers, 3425.907 Da Detail

NKGCATCSIG AACLVDGPIP DFEIAGATGL FGLWG

Formula weight

3425.907 Da

Entity Connection

amide 1, thioether 3 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	thioether	sing	1:CYS4:SG	1:PHE31:CA
2	thioether	sing	1:CYS7:SG	1:THR28:CA
3	thioether	sing	1:CYS13:SG	1:PHE22:CA
4	amide	sing	1:ASN1:N	1:GLY35:C

Source organism

Bacillus subtilis

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 82.4 %, Completeness (bb): 82.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	82.4 % (294 of 357)	92.2 % (165 of 179)	65.7 % (94 of 143)	100.0 % (35 of 35)
Backbone	82.0 % (169 of 206)	96.0 % (72 of 75)	65.3 % (64 of 98)	100.0 % (33 of 33)
Sidechain	85.5 % (153 of 179)	89.4 % (93 of 104)	79.5 % (58 of 73)	100.0 % (2 of 2)
Aromatic	31.3 % (10 of 32)	56.3 % (9 of 16)	0.0 % (0 of 15)	100.0 % (1 of 1)
Methyl	100.0 % (42 of 42)	100.0 % (21 of 21)	100.0 % (21 of 21)

1. Subtilosin A

NKGCATCSIG AACLVDGPIP DFEIAGATGL FGLWG

Show sample condition

Sample

Temperature 288 (±0.5) K, pH 4.5

#	Name	Isotope labeling	Type	Concentration
1	Subtilosin A	[U-100% 13C; U-80% 15N]		1.0 mM

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Release date

2003-12-18

Citation

Structure of subtilosin A, an antimicrobial peptide from Bacillus subtilis with unusual posttranslational modifications linking cysteine sulfurs to alpha-carbons of phenylalanine and threonine
Kawulka, K., Sprules, T., McKay, R.T., Mercier, P., Diaper, C.M., Zuber, P., Vederas, J.C.
J. Am. Chem. Soc. (2003), 125, 4726-4727, PubMed 12696888 , DOI 10.1021/ja029654t , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Related entities 1. Subtilosin A, : 1 : 1 entities Detail

Experiments performed 12 experiments Detail