BMRB: 16196

Solution Structure of the acetyl Actinorhodin Acyl Carrier Protein from Streptomyces coelicolor

Authors

Crump, M.P., Evans, S.E., Eliza, P., Christopher, W.

Assembly

acetyl Actinorhodin Acyl Carrier

Entity

1. acetyl Actinorhodin Acyl Carrier (polymer, Thiol state: not present), 86 monomers, 9232.119 Da Detail

MATLLTTDDL RRALVESAGE TDGTDLSGDF LDLRFEDIGY DSLALMETAA RLESRYGVSI PDDVAGRVDT PRELLDLING ALAEAA

2. THIOACETIC ACID S-{2-[3-(2-HYDROXY-3,3-DIMETHYL-4-PHOSPHONOOXY-BUTYRYLAMINO)-PROPIONYLAMINO]-ETHYL} ESTER (non-polymer), 400.385 Da

Total weight

9632.504 Da

Max. entity weight

9232.119 Da

Source organism

Streptomyces coelicolor A3(2)

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.8 %, Completeness: 96.8 %, Completeness (bb): 97.3 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	96.8 % (882 of 911)	96.1 % (444 of 462)	97.3 % (354 of 364)	98.8 % (84 of 85)
Backbone	97.3 % (498 of 512)	96.6 % (171 of 177)	97.2 % (244 of 251)	98.8 % (83 of 84)
Sidechain	96.7 % (462 of 478)	95.8 % (273 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	100.0 % (120 of 120)	100.0 % (60 of 60)	100.0 % (60 of 60)

1. acetyl Actinorhodin Acyl Carrier

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)

#	Name	Isotope labeling	Type	Concentration
1	Acyl Carrier Protein	[U-98% 13C; U-98% 15N]		1-2 (±0.2) mM
2	Phosphate	natural abundance		20 (±2.0) mM
3	H2O	natural abundance		95 %
4	D2O	natural abundance		5 %

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LACS Plot; CA

Referencing offset: -0.28 ppm, Outliers: 1 Detail

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Chemical shift reference

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

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LACS Plot; CB

Referencing offset: -0.28 ppm, Outliers: 1 Detail

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Chemical shift reference

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

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LACS Plot; HA

Referencing offset: -0.12 ppm, Outliers: 1 Detail

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Chemical shift reference

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

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LACS Plot; CO

Referencing offset: -0.04 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

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

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Protein Blocks Logo

Calculated from 20 models in PDB: 2KG6, Strand ID: A Detail

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Release date

2009-04-16

Citation

Probing the Interactions of early polyketide intermediates with the Actinorhodin ACP from S. coelicolor A3(2)
Evans, S.E., Williams, C., Arthur, C.J., Ploskon, E., Wattana-Amorn, P., Cox, R.J., Crosby, J., Willis, C.L., Simpson, T.J., Crump, M.P.
J. Mol. Biol. (2009), 389, 511-528, PubMed 19361520 , DOI 10.1016/j.jmb.2009.03.072 , Abstract

Entries sharing articles BMRB: 6 entries Detail

Related entities 1. acetyl Actinorhodin Acyl Carrier, : 1 : 10 : 3 : 64 entities Detail

Experiments performed 10 experiments Detail