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BMRB: 18216

2LOL

NMR structure of an acyl-carrier protein from Rickettsia prowazekii.(Seattle Structural Genomics Center for Infectious Disease (SSGCID))

Authors

Barnwal, R., Gonen, S., Varani, G.

Assembly

acyl-carrier protein from Rickettsia prowazekii

Entity

1. acyl-carrier protein from Rickettsia prowazekii (polymer, Thiol state: not present), 81 monomers, 9238.489 Da Detail

MSTTDKIEQK VIEMVAEKLN KDKAIITTDS RFIEDLKADS LDTVELMMAI EVEYGIDIPD DEATKIKTVS DVIKYIKERQ S

Formula weight

9238.489 Da

Source organism

Rickettsia prowazekii

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.3 %, Completeness: 87.8 %, Completeness (bb): 94.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.8 % (836 of 952)	83.0 % (411 of 495)	92.8 % (347 of 374)	94.0 % (78 of 83)
Backbone	94.4 % (457 of 484)	92.6 % (150 of 162)	95.9 % (232 of 242)	93.8 % (75 of 80)
Sidechain	83.2 % (456 of 548)	78.4 % (261 of 333)	90.6 % (192 of 212)	100.0 % (3 of 3)
Aromatic	46.2 % (12 of 26)	92.3 % (12 of 13)	0.0 % (0 of 13)
Methyl	97.2 % (105 of 108)	96.3 % (52 of 54)	98.1 % (53 of 54)

1. acyl carrier protein

MSTTDKIEQK VIEMVAEKLN KDKAIITTDS RFIEDLKADS LDTVELMMAI EVEYGIDIPD DEATKIKTVS DVIKYIKERQ S

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	acyl carrier protein	[U-98% 13C; U-98% 15N]	1.7 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: -0.21 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: -0.21 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: 0.0 ppm, Outliers: 4 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: 1.26 ppm, Outliers: 3 Detail

Protein Blocks Logo

Calculated from 10 models in PDB: 2LOL, Strand ID: A Detail

Release date

2012-02-09

Citation

NMR structure of an acyl-carrier protein from Borrelia burgdorferi
Barnwal, R.P., Van Voorhis, W.C., Varani, G.
Acta Crystallogr. Sect. F. Struct. Biol. Cryst. Commun. (2011), 67, 1137-1140, PubMed 21904063 , DOI 10.1107/S1744309111004386 , Abstract

Related entities 1. acyl-carrier protein from Rickettsia prowazekii, : 1 : 1 : 2 : 237 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC