BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	96.4 % (878 of 911)	96.8 % (447 of 462)	95.9 % (349 of 364)	96.5 % (82 of 85)
Backbone	96.1 % (492 of 512)	96.6 % (171 of 177)	95.6 % (240 of 251)	96.4 % (81 of 84)
Sidechain	96.7 % (462 of 478)	96.8 % (276 of 285)	96.4 % (185 of 192)	100.0 % (1 of 1)
Aromatic	100.0 % (36 of 36)	100.0 % (18 of 18)	100.0 % (18 of 18)
Methyl	96.7 % (116 of 120)	96.7 % (58 of 60)	96.7 % (58 of 60)

1. hexanoyl 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 (±0.2) K, pH 5.5 (±0.2), Details Samples were 1mM NaN3, 5%/95% D2O/H2O in 600uL potassium phosphate buffer (20mM, pH 5.5) and 1-2mM derivatised ACP. The derivatised sidechain is not uniformly isotope labelled.

#	Name	Isotope labeling	Concentration
1	ACP	[U-98% 13C; U-98% 15N]	1.0 ~ 2.0 (±0.2) mM
2	potassium phosphate	natural abundance	20 (±2.0) mM
3	sodium azide	natural abundance	1 (±0.1) mM
4	H2O	natural abundance	95 %
5	D2O	natural abundance	5 %

LACS Plot; CA

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

Referencing offset: -0.32 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.32 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.11 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.01 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

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

  BMRB: 16199 released on 2009-04-21
    Title NMR Solution Structures of butyryl-ACP (a non-polar, non pathway intermediate) from the actinorhodin polyketide synthase in Streptomyces coelicolor
  BMRB: 16202 released on 2009-04-21
    Title NMR Solution Structures of 3-oxo-butyl-ACP, an intermediate mimic from the actinorhodin polyketide synthase in Streptomyces coelicolor
  BMRB: 16203 released on 2009-04-21
    Title NMR Solution Structures of 3,5-dioxohexyl ACP (a triketide mimic) from the actinorhodin polyketide synthase in Streptomyces coelicolor
  BMRB: 16196 released on 2009-04-16
    Title Solution Structure of the acetyl Actinorhodin Acyl Carrier Protein from Streptomyces coelicolor
  BMRB: 16197 released on 2009-04-16
    Title NMR Solution Structures of malonyl ACP from the actinorhodin polyketide synthase in Streptomyces coelicolor
  BMRB: 16201 released on 2009-04-16
    Title NMR Solution Structures of octanoyl ACP (a non-natural intermediate) from the actinorhodin polyketide synthase in Streptomyces coelicolor