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BMRB: 16624

2KR5

Solution Structure of an Acyl Carrier Protein Domain from Fungal Type I Polyketide Synthase

Authors

Wattana-amorn, P., Williams, C., Ploskon, E., Cox, R.J., Simpson, T.J., Crosby, J., Crump, M.P.

Assembly

acyl carrier protein from a fungal type I polyketide synthase

Entity

1. acyl carrier protein from a fungal type I polyketide synthase (polymer, Thiol state: all free), 89 monomers, 9675.785 Da Detail

AMAKGVGVSN EKLDAVMRVV SEESGIALEE LTDDSNFADM GIDXLSSMVI GSRFREDLGL DLGPEFSLFI DCTTVRALKD FMLGSGDAG

Formula weight

9675.785 Da

Source organism

Aspergillus parasiticus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.9 %, Completeness: 97.3 %, Completeness (bb): 99.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	97.3 % (920 of 946)	97.1 % (469 of 483)	97.1 % (363 of 374)	98.9 % (88 of 89)
Backbone	99.2 % (522 of 526)	98.4 % (182 of 185)	100.0 % (254 of 254)	98.9 % (86 of 87)
Sidechain	95.6 % (476 of 498)	96.3 % (287 of 298)	94.4 % (187 of 198)	100.0 % (2 of 2)
Aromatic	78.0 % (39 of 50)	80.0 % (20 of 25)	76.0 % (19 of 25)
Methyl	100.0 % (104 of 104)	100.0 % (52 of 52)	100.0 % (52 of 52)

1. ACP

AMAKGVGVSN EKLDAVMRVV SEESGIALEE LTDDSNFADM GIDXLSSMVI GSRFREDLGL DLGPEFSLFI DCTTVRALKD FMLGSGDAG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 5.8

#	Name	Isotope labeling	Concentration
1	ACP	[U-95% 13C; U-95% 15N]	1 mM
2	H2O	natural abundance	90 %
3	D2O	natural abundance	10 %

LACS Plot; CA

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

Referencing offset: 0.04 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 0.04 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.07 ppm, Outliers: 2 Detail

LACS Plot; CO

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

Referencing offset: -0.41 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KR5, Strand ID: A Detail

Release date

2010-02-08

Citation

Solution structure of an acyl carrier protein domain from a fungal type I polyketide synthase
Wattana-amorn, P., Williams, C., Posko, E., Cox, R.J., Simpson, T.J., Crosby, J., Crump, M.P.
Biochemistry (2010), 49, 2186-2193, PubMed 20136099 , DOI 10.1021/bi902176v , Abstract

Entries sharing articles BMRB: 1, Swiss-Prot: 1 entries Detail

  BMRB: 16524 released on 2010-02-28
    Title NMR solution structures of hexanoyl-ACP from the Streptomyces coelicolor Fatty Acid Synthase
  Swiss-Prot: Q12053 released on 1997-11-01
    Title PKSL1_ASPPA Entity Noranthrone synthase

Related entities 1. acyl carrier protein from a fungal type I polyketide synthase, : 1 : 1 : 27 entities Detail

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC