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BMRB: 4906

1HF9

Solution Structure of a C-Terminal Coiled-Coil Domain from Bovine IF1 - the Inhibitor Protein of F1 ATPase

Authors

Gordon-Smith, D.J., Carbajo, R.J., Yang, J., Hortense, V., Runswick, M.J., Walker, J.E., Neuhaus, D.

Assembly

C-terminal domain (44-84) of the inhibitor of F1 ATPase

Entity

1. C-terminal domain (44-84) of the inhibitor of F1 ATPase (polymer, Thiol state: not present), 41 monomers, 4984.496 × 2 Da Detail

ALKKHHENEI SHHAKEIERL QKEIERHKQS IKKLKQSEDD D

Total weight

9968.992 Da

Max. entity weight

4984.496 Da

Source organism

Exptl. method

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 95.3 %, Completeness (bb): 97.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.3 % (492 of 516)	97.1 % (271 of 279)	92.2 % (177 of 192)	97.8 % (44 of 45)
Backbone	97.6 % (240 of 246)	96.3 % (79 of 82)	98.4 % (121 of 123)	97.6 % (40 of 41)
Sidechain	94.2 % (293 of 311)	97.5 % (192 of 197)	88.2 % (97 of 110)	100.0 % (4 of 4)
Aromatic	50.0 % (10 of 20)	100.0 % (10 of 10)	0.0 % (0 of 10)
Methyl	100.0 % (32 of 32)	100.0 % (16 of 16)	100.0 % (16 of 16)

1. Inhibitor of F1 ATPase

ALKKHHENEI SHHAKEIERL QKEIERHKQS IKKLKQSEDD D

Show sample condition

Sample

Temperature 300 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Inhibitor of F1 ATPase	[U-13C; U-15N]		1.5 mM

Protein Blocks Logo

Calculated from 35 models in PDB: 1HF9, Strand ID: A, B Detail

Release date

2001-05-08

Citation 1

Solution Structure of a C-terminal Coiled-coil Domain from Bovine IF1: The Inhibitor Protein of F1 ATPase
Gordon-Smith, D.J., Carbajo, R.J., Yang, J., Videler, H., Runswick, M.J., Walker, J.E., Neuhaus, D.
J. Mol. Biol. (2001), 308, 325-339, PubMed , DOI:

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Citation 2

X-PLOR, version 3.1: A system for X-ray crystallography and NMR
Brunger, A.T.

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Related entities 1. C-terminal domain (44-84) of the inhibitor of F1 ATPase, : 1 : 3 : 1 : 36 entities Detail

Interaction partners 1. C-terminal domain (44-84) of the inhibitor of F1 ATPase, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 11 experiments Detail

1 1H-1H COSY

Instrument

Bruker DRX - 300 MHz

Sample

State isotropic, Temperature 300 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Inhibitor of F1 ATPase	[U-13C; U-15N]		1.5 mM

2 1H-1H NOESY

Instrument

Bruker DRX - 300 MHz

Sample

State isotropic, Temperature 300 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Inhibitor of F1 ATPase	[U-13C; U-15N]		1.5 mM

3 1H-1H TOCSY

Instrument

Bruker DRX - 300 MHz

Sample

State isotropic, Temperature 300 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Inhibitor of F1 ATPase	[U-13C; U-15N]		1.5 mM

4 15N NOESY HMQC

Instrument

Bruker DRX - 300 MHz

Sample

State isotropic, Temperature 300 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Inhibitor of F1 ATPase	[U-13C; U-15N]		1.5 mM

5 15N HMQC NOESY HMQC

Instrument

Bruker DRX - 300 MHz

Sample

State isotropic, Temperature 300 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Inhibitor of F1 ATPase	[U-13C; U-15N]		1.5 mM

6 HNCA

Instrument

Bruker DRX - 300 MHz

Sample

State isotropic, Temperature 300 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Inhibitor of F1 ATPase	[U-13C; U-15N]		1.5 mM

7 HN(CO)CA

Instrument

Bruker DRX - 300 MHz

Sample

State isotropic, Temperature 300 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Inhibitor of F1 ATPase	[U-13C; U-15N]		1.5 mM

8 13C HCCH TOCSY

Instrument

Bruker DRX - 300 MHz

Sample

State isotropic, Temperature 300 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Inhibitor of F1 ATPase	[U-13C; U-15N]		1.5 mM

9 13C HSQC NOESY

Instrument

Bruker DRX - 300 MHz

Sample

State isotropic, Temperature 300 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Inhibitor of F1 ATPase	[U-13C; U-15N]		1.5 mM

10 13C,15N double half filtered NOESY

Instrument

Bruker DRX - 300 MHz

Sample

State isotropic, Temperature 300 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Inhibitor of F1 ATPase	[U-13C; U-15N]		1.5 mM

11 13C edit/purge HSQC NOESY

Instrument

Bruker DRX - 300 MHz

Sample

State isotropic, Temperature 300 (±1) K, pH 6.5 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Inhibitor of F1 ATPase	[U-13C; U-15N]		1.5 mM

nullKeywords Protein Structure, NMR Spectroscopy, coiled coil, F1 ATPase, inhibitor protein, structure calculation, structure analysis, software