BMRB: 6962

Resonance Assignments of 10:0-ACP

Authors

Zornetzer, G.A., Fox, B.G., Markley, J.L.

Assembly

10:0 ACP from spinach

Entity

1. Acyl Carrier Protein (polymer, Thiol state: not present), 82 monomers, 8835.805 Da Detail

AKKETIDKVS DIVKEKLALG ADVVVTADSE FSKLGADSLD TVEIVMNLEE EFGINVDEDK AQDISTIQQA ADVIEGLLEK KA

2. PNS (non-polymer), 358.348 Da
3. DKA (non-polymer), 172.265 Da

Total weight

9366.417 Da

Max. entity weight

8835.805 Da

Entity Connection

thioester 1, phosphodiester 1 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	phosphodiester	sing	1:SER38:CB	2:PNS1:O23
2	thioester	sing	2:PNS1:S44	3:DKA1:C1

Source organism

Spinacia oleracea

Exptl. method

NMR

Refine. method

Torsion angle molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 96.3 %, Completeness (bb): 97.0 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	96.3 % (880 of 914)	96.8 % (454 of 469)	95.0 % (340 of 358)	98.9 % (86 of 87)
Backbone	97.0 % (477 of 492)	97.0 % (163 of 168)	96.3 % (233 of 242)	98.8 % (81 of 82)
Sidechain	96.0 % (480 of 500)	96.7 % (291 of 301)	94.8 % (184 of 194)	100.0 % (5 of 5)
Aromatic	60.0 % (12 of 20)	80.0 % (8 of 10)	40.0 % (4 of 10)
Methyl	95.8 % (113 of 118)	94.9 % (56 of 59)	96.6 % (57 of 59)

1. Acyl Carrier Protein

AKKETIDKVS DIVKEKLALG ADVVVTADSE FSKLGADSLD TVEIVMNLEE EFGINVDEDK AQDISTIQQA ADVIEGLLEK KA

Show sample condition

Sample

Temperature 287 K, pH 6.1 (±0.05), Details doubly labeled 10:0-ACP

#	Name	Isotope labeling	Type	Concentration
4	Acyl Carrier Protein	[U-15N; U-13C]	protein	2 (±0.1) mM
5	MES pH 6.1		buffer	10 (±1.0) mM
6	NaCl		salt	100 (±3.0) mM

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LACS Plot; CA

Referencing offset: -0.01 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: -0.01 ppm, Outliers: 3 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: 0.0 ppm, Outliers: 1 Detail

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Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: -0.33 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	0.0 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

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

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Release date

2007-01-28

Citation 1

Solution structures of spinach acyl carrier protein with decanoate and stearate
Zornetzer, G.A., Fox, B.G., Markley, J.L.
Biochemistry (2006), 45, 5217-5227, PubMed 16618110 , DOI 10.1021/bi052062d , Abstract

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Citation 2

Preparation of isotopically labeled spinach acyl-acyl carrier protein for NMR structural studies
Zornetzer, G.A., White, R.D., Markley, J.L., Fox, B.G.
Protein Expr. Purif. (2006), 46, 446-455, PubMed 16325425 , DOI 10.1016/j.pep.2005.10.015 , Abstract

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Related entities 1. Acyl Carrier Protein, : 1 : 3 : 3 : 221 entities Detail

Interaction partners 1. Acyl Carrier Protein, : 1 interactors Detail

Experiments performed 14 experiments Detail