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1e79

Bovine F1-ATPase inhibited by DCCD (dicyclohexylcarbodiimide)

Method: X-RAY DIFFRACTION D_max: 146.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e79
deposition_date	2000-08-25
title	Bovine F1-ATPase inhibited by DCCD (dicyclohexylcarbodiimide)
keywords	ATP PHOSPHORYLASE, ATP PHOSPHORYLASE (H+ TRANSPORTING), F1FO ATP SYNTHASE, CENTRAL STALK, HYDROLASE; HYDROLASE
method	X-RAY DIFFRACTION

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Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

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2. SAXS Parameters (CRYSOL)

rg_guinier	45.26 Å
rg_electron	44.57 Å
i0	1861940000.00
molecular_weight	361570.0 kDa
excluded_volume	454440 Å³
envelope_volume	595650 Å³
shell_volume	104660 Å³
envelope_diameter	157.7 Å
shell_rg	54.05 Å
envelope_rg	44.29 Å
shape_rg	44.58 Å
total_rg	44.85 Å
total_atoms	25407
n_residues	3316
n_harmonics	20
q_range	— – 0.5000 Å⁻¹
n_points	101
shell_type	directional
solvent_density	0.3340 e/Å³
contrast_shell	0.0300 e/Å³
crysol_version	4.1.3

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3. P(r) Analysis (GNOM)

dmax	146.0 Å
rg_real	45.00 Å
rg_real_error	0.90 Å
i0_real	1.8620e+09
i0_real_error	3.2280e+07
rg_reciprocal	45.26 Å
i0_reciprocal	1863000000.0000
total_estimate	0.8742
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	58.4 Å
skewness	0.183
kurtosis	-0.325
angular_range	— – 0.1750 Å⁻¹
current_alpha	0.0000
highest_alpha	433700000.0000
n_real_points	36
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.837; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.980; Smooth: 0.869

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4. Crystallography & Experiment

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5. Entities & Polymer Info (12)

Entity 1 polymer

description	ATP SYNTHASE ALPHA CHAIN HEART ISOFORM
formula_weight	55301.2 kDa
ec_number	3.6.1.34
src_method	nat
entity_count	3

Polymer

type	polypeptide(L)
strand_id	A,B,C
atom_count	26318

QKTGTAEVSSILEERILGADTSVDLEETGRVLSIGDGIARVHGLRNVQAEEMVEFSSGLKGMSLNLEPDNVGVVVFGNDKLIKEGDIVKRTGAIVDVPVGEELLGRVVDALGNAIDGKGPIGSKARRRVGLKAPGIIPRISVREPMQTGIKAVDSLVPIGRGQRELIIGDRQTGKTSIAIDTIINQKRFNDGTDEKKKLYCIYVAIGQKRSTVAQLVKRLTDADAMKYTIVVSATASDAAPLQYLAPYSGCSMGEYFRDNGKHALIIYDDLSKQAVAYRQMSLLLRRPPGREAYPGDVFYLHSRLLERAAKMNDAFGGGSLTALPVIETQAGDVSAYIPTNVISITDGQIFLETELFYKGIRPAINVGLSVSRVGSAAQTRAMKQVAGTMKLELAQYREVAAFAQFGSDLDAATQQLLSRGVRLTELLKQGQYSPMAIEEQVAVIYAGVRGYLDKLEPSKITKFENAFLSHVISQHQALLGKIRTDGKISEESDAKLKEIVTNFLAGFEA

Entity 2 polymer

description	ATP SYNTHASE BETA CHAIN
formula_weight	51757.8 kDa
ec_number	3.6.1.34
src_method	nat
entity_count	3

Polymer

type	polypeptide(L)
strand_id	D,E,F

AAQASPSPKAGATTGRIVAVIGAVVDVQFDEGLPPILNALEVQGRETRLVLEVAQHLGESTVRTIAMDGTEGLVRGQKVLDSGAPIRIPVGPETLGRIMNVIGEPIDERGPIKTKQFAAIHAEAPEFVEMSVEQEILVTGIKVVDLLAPYAKGGKIGLFGGAGVGKTVLIMELINNVAKAHGGYSVFAGVGERTREGNDLYHEMIESGVINLKDATSKVALVYGQMNEPPGARARVALTGLTVAEYFRDQEGQDVLLFIDNIFRFTQAGSEVSALLGRIPSAVGYQPTLATDMGTMQERITTTKKGSITSVQAIYVPADDLTDPAPATTFAHLDATTVLSRAIAELGIYPAVDPLDSTSRIMDPNIVGSEHYDVARGVQKILQDYKSLQDIIAILGMDELSEEDKLTVSRARKIQRFLSQPFQVAEVFTGHLGKLVPLKETIKGFQQILAGEYDHLPEQAFYMVGPIEEAVAKADKLAEEHS

Entity 3 polymer

description	ATP SYNTHASE GAMMA CHAIN
formula_weight	30185.7 kDa
ec_number	3.6.1.34
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	G

ATLKDITRRLKSIKNIQKITKSMKMVAAAKYARAERELKPARVYGVGSLALYEKADIKTPEDKKKHLIIGVSSDRGLCGAIHSSVAKQMKSEAANLAAAGKEVKIIGVGDKIRSILHRTHSDQFLVTFKEVGRRPPTFGDASVIALELLNSGYEFDEGSIIFNRFRSVISYKTEEKPIFSLDTISSAESMSIYDDIDADVLRNYQEYSLANIIYYSLKESTTSEQSARMTAMDNASKNASEMIDKLTLTFNRTRQAVITKELIEIISGAAAL

Entity 4 polymer

description	ATP SYNTHASE DELTA CHAIN
formula_weight	15074.8 kDa
ec_number	3.6.1.34
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	H

AEAAAAQAPAAGPGQMSFTFASPTQVFFNSANVRQVDVPTQTGAFGILAAHVPTLQVLRPGLVVVHAEDGTTSKYFVSSGSVTVNADSSVQLLAEEAVTLDMLDLGAAKANLEKAQSELLGAADEATRAEIQIRIEANEALVKALE

Entity 5 polymer

description	ATP SYNTHASE EPSILON CHAIN
formula_weight	5662.7 kDa
ec_number	3.6.1.34
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	I

VAYWRQAGLSYIRYSQICAKAVRDALKTEFKANAMKTSGSTIKIVKVKKE

Entity 6 non-polymer

description	ADENOSINE-5'-TRIPHOSPHATE
formula_weight	507.2 kDa
src_method	syn
entity_count	2

Entity 7 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	5

Entity 8 non-polymer

description	ADENOSINE-5'-DIPHOSPHATE
formula_weight	427.2 kDa
src_method	syn
entity_count	3

Entity 9 non-polymer

description	GLYCEROL
formula_weight	92.1 kDa
src_method	syn
entity_count	1

Entity 10 non-polymer

description	DICYCLOHEXYLUREA
formula_weight	224.3 kDa
src_method	syn
entity_count	1

Entity 11 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 12 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	911

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6. Citations (7)

The Structure of the Central Stalk in Bovine F(1)-ATPase at 2.4 A Resolution.

Nat.Struct.Biol. (2000)

PMID: 11062563 · DOI: 10.1038/80981 PRIMARY

Molecular Architecture of the Rotary Motor in ATP Synthase

Science (1999)

PMID: 10576729 · DOI: 10.1126/SCIENCE.286.5445.1700

ATP Synthesis by Rotary Catalysis (Nobel Lecture)

Angew.Chem.Int.Ed.Engl. (1998)

DOI: 10.1002/(SICI)1521-3773(19980918)37:17<2308::AID-ANIE2308>3.0.CO;2-W

Crystal Structure of the Epsilon Subunit of the Proton-Translocating ATP Synthase from Escherichia Coli

Structure (1997)

PMID: 9331422 · DOI: 10.1016/S0969-2126(97)00272-4

Structure at 2.8 A Resolution of F1-ATPase from Bovine Heart Mitochondria

Nature (1994)

PMID: 8065448 · DOI: 10.1038/370621A0

Crystallization of F1-ATPase from Bovine Heart Mitochondria

J.Mol.Biol. (1993)

PMID: 8433373 · DOI: 10.1006/JMBI.1993.1081

;Inactivation of Bovine Mitochondrial F1-ATPase with Dicyclohexyl-Carbodiimide [14C] Leads to the Modification of a Specific Glutamic-Acid Residue in the Beta Subunit ;

J.Biol.Chem. (1981)

PMID: 6114957

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length_a	267.200 Å
length_b	107.200 Å
length_c	135.900 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	12

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.400 Å
resolution_low	20.000 Å
r_factor	—
r_work	0.2250
r_free	0.2810

fit	/app/data/saxs_computation/e7/1e79/1e79.fit
pddf	/app/data/pr_computation/e7/1e79/1e79.pr.out
profile	/app/data/saxs_computation/e7/1e79/1e79.dat

Bovine F1-ATPase inhibited by DCCD (dicyclohexylcarbodiimide)

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction

5. Entities & Polymer Info (12)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

Entity 4 polymer

Polymer

Entity 5 polymer

Polymer

Entity 6 non-polymer

Entity 7 non-polymer

Entity 8 non-polymer

Entity 9 non-polymer

Entity 10 non-polymer

Entity 11 non-polymer

Entity 12 water

6. Citations (7)

7. Files & Curves (10)

Files (7)

Curves (3)