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BMRB: 16856

2KWL

Solution Structure of acyl carrier protein from Borrelia burgdorferi, Seattle Structural Genomics Center for Infectious Disease (SSGCID) consortium

Authors

Barnwal, R., Vittal, V., Moody, J., Varani, G.

Assembly

acyl carrier protein

Entity

1. acyl carrier protein (polymer, Thiol state: not present), 84 monomers, 9632.467 Da Detail

GPGSMDNDEI FSKVRSIISE QLDKKEDEIT TDSRFVEDLN ADSLDIYELL YLLEEAFDDK IPENEANEFE TVGDVVNFIK KRKG

Formula weight

9632.467 Da

Source organism

Borreliella burgdorferi

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 93.4 %, Completeness (bb): 98.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.4 % (918 of 983)	96.5 % (495 of 513)	87.7 % (335 of 382)	100.0 % (88 of 88)
Backbone	98.8 % (494 of 500)	98.8 % (168 of 170)	98.4 % (244 of 248)	100.0 % (82 of 82)
Sidechain	89.5 % (504 of 563)	95.3 % (327 of 343)	79.9 % (171 of 214)	100.0 % (6 of 6)
Aromatic	50.0 % (33 of 66)	100.0 % (33 of 33)	0.0 % (0 of 33)
Methyl	95.5 % (84 of 88)	95.5 % (42 of 44)	95.5 % (42 of 44)

1. acyl carrier protein

GPGSMDNDEI FSKVRSIISE QLDKKEDEIT TDSRFVEDLN ADSLDIYELL YLLEEAFDDK IPENEANEFE TVGDVVNFIK KRKG

Show sample condition

Sample #1

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

#	Name	Isotope labeling	Type	Concentration
1	acyl carrier protein (BobuA.00658.a)	[U-95% 13C; U-95% 15N]		1.1 mM

Sample #2

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

#	Name	Isotope labeling	Type	Concentration
2	acyl carrier protein (BobuA.00658.a)	[U-95% 15N]		1.1 mM

Sample #3

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

#	Name	Isotope labeling	Type	Concentration
3	acyl carrier protein (BobuA.00658.a)	natural abundance		1.1 mM

LACS Plot; CA

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

Referencing offset: 0.41 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: 0.41 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: 0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: -0.44 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2010-04-19

Citation

NMR Structure of acyl carrier protein from Borrelia burgdorferi
Barnwal, R., Vittal, V., Moody, J., Varani, G.
Not known

Related entities 1. acyl carrier protein, : 1 : 2 : 246 entities Detail

Experiments performed 10 experiments Detail

1 2D 1H-15N HSQC