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BMRB: 16527

2KOR

NMR solution structures of 2-octenoyl-ACP from Streptomyces coelicolor Fatty Acid Synthase

Authors

Ploskon, E., Arthur, C.J., Crump, M.P.

Assembly

Modified Fatty Acid Synthase Acyl Carrier Protein

Entity

1. ACP (polymer, Thiol state: not present), 81 monomers, 8785.706 Da Detail

AATQEEIVAG LAEIVNEIAG IPVEDVKLDK SFTDDLDVDS LSMVEVVVAA EERFDVKIPD DDVKNLKTVG DATKYILDHQ A

2. (1S,4S,5S,6R,9S,11S)-6-CHLORO-9-FORMYL-13-ISOPROPYL-5-METHYL-2-({[(3AR,5R,7R ,7AS)-7-METHYL-3-METHYLENEHEXAHYDRO-2H-FURO[2,3-C]PYRAN-5-YL]OXY}METHYL)TETR ACYCLO[7.4.0.02,11.04,8]TRIDEC-12-ENE-1-CARBOXYLIC ACI (non-polymer), 519.069 Da

Total weight

9304.775 Da

Max. entity weight

8785.706 Da

Entity Connection

covalent 1 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	covalent	sing	1:SER40:OG	2:SOD1:P24

Source organism

Streptomyces coelicolor

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 87.2 %, Completeness (bb): 81.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.2 % (779 of 893)	93.8 % (426 of 454)	76.7 % (273 of 356)	96.4 % (80 of 83)
Backbone	81.5 % (393 of 482)	92.0 % (150 of 163)	69.2 % (166 of 240)	97.5 % (77 of 79)
Sidechain	93.5 % (457 of 489)	93.8 % (273 of 291)	93.3 % (181 of 194)	75.0 % (3 of 4)
Aromatic	93.8 % (30 of 32)	93.8 % (15 of 16)	93.8 % (15 of 16)
Methyl	93.4 % (114 of 122)	93.4 % (57 of 61)	93.4 % (57 of 61)

1. ACP

AATQEEIVAG LAEIVNEIAG IPVEDVKLDK SFTDDLDVDS LSMVEVVVAA EERFDVKIPD DDVKNLKTVG DATKYILDHQ A

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	potassium phosphate	natural abundance	50 mM
2	sodium azide	natural abundance	0.5 mM
3	2-octenoyl phosphopantetheine	natural abundance	1 mM
4	ACP	[U-99% 13C; U-99% 15N]	1 mM
5	H2O	natural abundance	95 %
6	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: -0.28 ppm, Outliers: 3 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: -0.28 ppm, Outliers: 3 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: -0.02 ppm, Outliers: 2 Detail

Protein Blocks Logo

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

Release date

2010-02-28

Citation

Recognition of intermediate functionality by acyl carrier protein over a complete cycle of fatty acid biosynthesis
Ploskon, E., Arthur, C.J., Kanari, A., Wattana-amorn, P., Williams, C., Crosby, J., Simpson, T.J., Willis, C.L., Crump, M.P.
Chem. Biol. (2010), 17, 776-785, PubMed 20659690 , DOI 10.1016/j.chembiol.2010.05.024 , Abstract

Entries sharing articles BMRB: 4 entries Detail

  BMRB: 16525 released on 2010-09-02
    Title NMR solution structures of 3-oxooctanyl-ACP from Streptomyces coelicolor Fatty Acid Synthase
  BMRB: 16526 released on 2010-09-02
    Title NMR solution structures of 3-hydroxyoctanoyl-ACP from Streptomyces coelicolor Fatty Acid Synthase
  BMRB: 16524 released on 2010-02-28
    Title NMR solution structures of hexanoyl-ACP from the Streptomyces coelicolor Fatty Acid Synthase
  BMRB: 16528 released on 2010-02-28
    Title NMR solution structures of octanoyl-ACP from Streptomyces coelicolor Fatty Acid Synthase

Related entities 1. ACP, : 1 : 5 : 197 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC