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BMRB: 34085

5MTI

Bamb_5917 Acyl-Carrier Protein

Authors

Gallo, A., Kosol, S., Griffiths, D., Masschelein, J., Alkhalaf, L., Smith, H., Valentic, T., Tsai, S., Challis, G., Lewandowski, J.R.

Assembly

Phosphopantetheine-binding protein

Entity

1. Phosphopantetheine-binding protein (polymer, Thiol state: all free), 107 monomers, 11313.63 Da Detail

GIDPFTGAAA GVSAAGIEPD LTAIWQALFA LPAVGRHQDF FALGGDSQLG LRMLAQLRER HGVDLPLRCL YEAPTVARLA ETIVRLAAPA PSGDQDDASE YEEGVIR

Formula weight

11313.63 Da

Source organism

Burkholderia ambifaria AMMD

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.4 %, Completeness: 84.4 %, Completeness (bb): 92.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	84.4 % (981 of 1162)	82.7 % (492 of 595)	85.0 % (392 of 461)	91.5 % (97 of 106)
Backbone	92.0 % (578 of 628)	90.8 % (198 of 218)	92.3 % (286 of 310)	94.0 % (94 of 100)
Sidechain	77.9 % (491 of 630)	78.0 % (294 of 377)	78.5 % (194 of 247)	50.0 % (3 of 6)
Aromatic	2.6 % (2 of 76)	2.6 % (1 of 38)	0.0 % (0 of 37)	100.0 % (1 of 1)
Methyl	92.9 % (130 of 140)	91.4 % (64 of 70)	94.3 % (66 of 70)

1. Phosphopantetheine-binding protein

GIDPFTGAAA GVSAAGIEPD LTAIWQALFA LPAVGRHQDF FALGGDSQLG LRMLAQLRER HGVDLPLRCL YEAPTVARLA ETIVRLAAPA PSGDQDDASE YEEGVIR

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 6.50 (±0.05), Details 0.5 mM [U-99% 15N] 15N_PCP17, 50 mM potassium phosphate, 200 mM sodium chloride, 1 % DSS, 90 % H2O, 10 % D2O, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	15N_PCP17	[U-99% 15N]	0.5 mM
2	D2O	natural abundance	10 %
3	DSS	natural abundance	1 %
4	H2O	natural abundance	90 %
5	potassium phosphate	natural abundance	50 mM
6	sodium chloride	natural abundance	200 mM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 288 K, pH 6.50 (±0.05), Details 0.3 mM [U-13C; U-15N] 13C,15N_PCP17, 50 mM potassium phosphate, 200 mM sodium chloride, 1 % DSS, 90 % H2O, 10 % D2O, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	13C,15N_PCP17	[U-13C; U-15N]	0.3 mM
8	D2O	natural abundance	10 %
9	DSS	natural abundance	1 %
10	H2O	natural abundance	90 %
11	potassium phosphate	natural abundance	50 mM
12	sodium chloride	natural abundance	200 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.35 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.35 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: 0.08 ppm, Outliers: 2 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	internal	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	methyl protons	internal	indirect	0.1013291

Referencing offset: -0.06 ppm, Outliers: 2 Detail

Release date

2017-01-19

Citation

Structural basis for chain release from the enacyloxin polyketide synthase
Kosol, S., Gallo, A., Griffiths, D., Valentic, T.R., Masschelein, J., Jenner, M., de Los Santos, E., Manzi, L., Sydor, P.K., Rea, D., Zhou, S., Fulop, V., Oldham, N.J., Tsai, S.C., Challis, G.L., Lewandowski, J.R.
Nat. Chem. (2019), 11, 913-923, PubMed 31548674 , DOI 10.1038/s41557-019-0335-5 , Abstract