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BMRB: 15658

2K0X

The actinorhodin holo acyl carrier protein from S. coelicolor

Authors

Crump, M.P., Evans, S.E., Williams, C.

Assembly

actinorhodin polyketide acyl carrier protein

Entity

1. act holo-acp (polymer, Thiol state: all free), 86 monomers, 9232.119 Da Detail

MATLLTTDDL RRALVESAGE TDGTDLSGDF LDLRFEDIGY DSLALMETAA RLESRYGVSI PDDVAGRVDT PRELLDLING ALAEAA

2. 4'-PHOSPHOPANTETHEINE (non-polymer), 358.348 Da

Total weight

9590.467 Da

Max. entity weight

9232.119 Da

Source organism

Streptomyces coelicolor

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.8 %, Completeness: 97.1 %, Completeness (bb): 96.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.1 % (885 of 911)	97.0 % (448 of 462)	97.3 % (354 of 364)	97.6 % (83 of 85)
Backbone	96.9 % (496 of 512)	96.0 % (170 of 177)	97.2 % (244 of 251)	97.6 % (82 of 84)
Sidechain	97.7 % (467 of 478)	97.5 % (278 of 285)	97.9 % (188 of 192)	100.0 % (1 of 1)
Aromatic	100.0 % (36 of 36)	100.0 % (18 of 18)	100.0 % (18 of 18)
Methyl	99.2 % (119 of 120)	98.3 % (59 of 60)	100.0 % (60 of 60)

1. act holo-acp

MATLLTTDDL RRALVESAGE TDGTDLSGDF LDLRFEDIGY DSLALMETAA RLESRYGVSI PDDVAGRVDT PRELLDLING ALAEAA

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 (±0.5) K, pH 5.5 (±0.2), Details Samples were 1mM NaN3, 5%/95% D2O/H2O in 600μL potassium phosphate buffer (20mM, pH 5.5) and 1-2mM derivatised ACP

#	Name	Isotope labeling	Concentration
1	act holo-acp	[U-98% 13C; U-98% 15N]	1-2 (±0.1) mM
2	Phosphopantetheine side chain	natural abundance	1-2 (±0.1) mM
3	H2O	natural abundance	95 %
4	D2O		5 %
5	potassium phosphate	natural abundance	20 (±2.0) mM
6	TCEP	natural abundance	5 (±0.2) mM
7	sodium azide	natural abundance	1 (±0.1) mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	water	protons	4.78 ppm	internal	direct	1.0
¹³C	water	protons	4.78 ppm	internal	indirect	0.2514495
¹⁵N	water	protons	4.78 ppm	null	indirect	0.1013291

Referencing offset: -0.35 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	water	protons	4.78 ppm	internal	direct	1.0
¹³C	water	protons	4.78 ppm	internal	indirect	0.2514495
¹⁵N	water	protons	4.78 ppm	null	indirect	0.1013291

Referencing offset: -0.35 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	water	protons	4.78 ppm	internal	direct	1.0
¹³C	water	protons	4.78 ppm	internal	indirect	0.2514495
¹⁵N	water	protons	4.78 ppm	null	indirect	0.1013291

Referencing offset: -0.13 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	water	protons	4.78 ppm	internal	direct	1.0
¹³C	water	protons	4.78 ppm	internal	indirect	0.2514495
¹⁵N	water	protons	4.78 ppm	null	indirect	0.1013291

Referencing offset: 0.01 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2K0X, Strand ID: A Detail

Release date

2008-09-10

Citation

An ACP structural switch: conformational differences between the apo and holo forms of the actinorhodin polyketide synthase acyl carrier protein
Evans, S.E., Williams, C., Arthur, C.J., Burston, S.G., Simpson, T.J., Crosby, J., Crump, M.P.
Chembiochem. (2008), 9, 2424-2432, PubMed 18770515 , DOI 10.1002/cbic.200800180 , Abstract