SAXSdb — 1dtw

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1. Structure Basics

entry_id	1dtw
deposition_date	2000-01-13
title	HUMAN BRANCHED-CHAIN ALPHA-KETO ACID DEHYDROGENASE
keywords	ThDP-binding fold, BRANCHED-CHAIN ALPHA-KETO ACID DEHYDROGENASE, OXIDOREDUCTASE; OXIDOREDUCTASE
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	30.01 Å
rg_electron	29.41 Å
i0	102176000.00
molecular_weight	79901.0 kDa
excluded_volume	99845 Å³
envelope_volume	123000 Å³
shell_volume	34925 Å³
envelope_diameter	104.4 Å
shell_rg	36.41 Å
envelope_rg	29.81 Å
shape_rg	29.41 Å
total_rg	30.04 Å
total_atoms	5622
n_residues	708
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	99.9 Å
rg_real	30.05 Å
rg_real_error	0.77 Å
i0_real	1.0220e+08
i0_real_error	1.5630e+06
rg_reciprocal	30.04 Å
i0_reciprocal	102200000.0000
total_estimate	0.8768
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	32.0 Å
skewness	0.384
kurtosis	-0.347
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	18880000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.872; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.973; Smooth: 0.806

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	BRANCHED-CHAIN ALPHA-KETO ACID DEHYDROGENASE ALPHA SUBUNIT
formula_weight	45571.1 kDa
ec_number	1.2.4.4
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	5670

SSLDDKPQFPGASAEFIDKLEFIQPNVISGIPIYRVMDRQGQIINPSEDPHLPKEKVLKLYKSMTLLNTMDRILYESQRQGRISFYMTNYGEEGTHVGSAAALDNTDLVFGQYREAGVLMYRDYPLELFMAQCYGNISDLGKGRQMPVHYGCKERHFVTISSPLATQIPQAVGAAYAAKRANANRVVICYFGEGAASEGDAHAGFNFAATLECPIIFFCRNNGYAISTPTSEQYRGDGIAARGPGYGIMSIRVDGNDVFAVYNATKEARRRAVAENQPFLIEAMTYRIGHHSTSDDSSAYRSVDEVNYWDKQDHPISRLRHYLLSQGWWDEEQEKAWRKQSRRKVMEAFEQAERKPKPNPNLLFSDVYQEMPAQLRKQQESLARHLQTYGEHYPLDHFDK

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 polymer

description	BRANCHED-CHAIN ALPHA-KETO ACID DEHYDROGENASE BETA SUBUNIT
formula_weight	37902.3 kDa
ec_number	1.2.4.4
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

VAHFTFQPDPEPREYGQTQKMNLFQSVTSALDNSLAKDPTAVIFGEDVAFGGVFRCTVGLRDKYGKDRVFNTPLCEQGIVGFGIGIAVTGATAIAEIQFADYIFPAFDQIVNEAAKYRYRSGDLFNCGSLTIRSPWGCVGHGALYHSQSPEAFFAHCPGIKVVIPRSPFQAKGLLLSCIEDKNPCIFFEPKILYRAAAEEVPIEPYNIPLSQAEVIQEGSDVTLVAWGTQVHVIREVASMAKEKLGVSCEVIDLRTIIPWDVDTICKSVIKTGRLLISHEAPLTGGFASEISSTVQEECFLNLEAPISRVCGYDTPFPHIFEPFYIPDKWKCYDALRKMINY

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	POTASSIUM ION
formula_weight	39.1 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	THIAMINE DIPHOSPHATE
formula_weight	425.3 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	48

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6. Citations (1)

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length_a	143.760 Å
length_b	143.760 Å
length_c	69.160 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	2.700 Å
resolution_low	50.000 Å
r_factor	0.2240
r_work	0.2240
r_free	0.2790

fit	/app/data/saxs_computation/dt/1dtw/1dtw.fit
pddf	/app/data/pr_computation/dt/1dtw/1dtw.pr.out
profile	/app/data/saxs_computation/dt/1dtw/1dtw.dat

HUMAN BRANCHED-CHAIN ALPHA-KETO ACID DEHYDROGENASE

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 (6)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)