SAXSdb — 1e3w

▼

1. Structure Basics

entry_id	1e3w
deposition_date	2000-06-26
title	Rat brain 3-hydroxyacyl-CoA dehydrogenase binary complex with NADH and 3-keto butyrate
keywords	DEHYDROGENASE, BETA-OXIDATION OF FATTY ACIDS, STEROIDS, AMYLOID BINDING; DEHYDROGENASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	28.85 Å
rg_electron	27.71 Å
i0	185325000.00
molecular_weight	107900.0 kDa
excluded_volume	135270 Å³
envelope_volume	155320 Å³
shell_volume	44171 Å³
envelope_diameter	95.6 Å
shell_rg	37.13 Å
envelope_rg	28.00 Å
shape_rg	27.70 Å
total_rg	28.59 Å
total_atoms	7567
n_residues	1001
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

▼

3. P(r) Analysis (GNOM)

dmax	89.5 Å
rg_real	28.68 Å
rg_real_error	0.58 Å
i0_real	1.8530e+08
i0_real_error	2.7340e+06
rg_reciprocal	28.75 Å
i0_reciprocal	185300000.0000
total_estimate	0.8985
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	35.8 Å
skewness	0.144
kurtosis	-0.477
angular_range	— – 0.2750 Å⁻¹
current_alpha	0.0000
highest_alpha	65510000.0000
n_real_points	56
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.911; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.954

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (7)

Entity 1 polymer

description	SHORT CHAIN 3-HYDROXYACYL-COA DEHYDROGENASE
formula_weight	27244.4 kDa
ec_number	1.1.1.35
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	8558

MAAAVRSVKGLVAVITGGASGLGLSTAKRLVGQGATAVLLDVPNSEGETEAKKLGGNCIFAPANVTSEKEVQAALTLAKEKFGRIDVAVNCAGIAVAIKTYHEKKNQVHTLEDFQRVINVNLIGTFNVIRLVAGVMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVVTIAPGLFATPLLTTLPDTVRNFLASQVPFPSRLGDPAEYAHLVQMVIENPFLNGEVIRLDGAIRMQP

Source

organism	RATTUS NORVEGICUS
common_name	NORWAY RAT
ncbi_taxonomy_id	10116
host_organism	ESCHERICHIA COLI

Entity 2 polymer

description	SHORT CHAIN 3-HYDROXYACYL-COA DEHYDROGENASE
formula_weight	27272.5 kDa
ec_number	1.1.1.35
src_method	man
entity_count	3

Polymer

type	polypeptide(L)
strand_id	B,C,D

MAAAVRSVKGLVAVITGGASGLGLSTAKRLVGQGATAVLLDVPNSEGETEAKKLGGNCIFAPANVTSEKEVQAALTLAKEKFGRIDVAVNCAGIAVAIKTYHEKKNQVHTLEDFQRVINVNLIGTFNVIRLVAGVMGQNEPDQGGQRGVIINTASVAAFEGQVGQAAYSASKGGIVGMTLPIARDLAPIGIRVVTIAPGLFATPLLTTLPDKVRNFLASQVPFPSRLGDPAEYAHLVQMVIENPFLNGEVIRLDGAIRMQP

Source

organism	RATTUS NORVEGICUS
common_name	NORWAY RAT
ncbi_taxonomy_id	10116
host_organism	ESCHERICHIA COLI

Entity 3 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	2-AMINO-2-HYDROXYMETHYL-PROPANE-1,3-DIOL
formula_weight	122.1 kDa
src_method	syn
entity_count	3

Entity 5 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	5

Entity 6 non-polymer

description	ACETOACETIC ACID
formula_weight	102.1 kDa
src_method	syn
entity_count	1

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	889

▶

6. Citations (1)

▶

length_a	57.603 Å
length_b	67.426 Å
length_c	67.500 Å
angle_alpha	65.22 °
angle_beta	73.27 °
angle_gamma	75.67 °
z_pdb	3

space_group	P 1
int_tables_number	1
crystal_system	—

resolution	2.000 Å
resolution_low	40.000 Å
r_factor	—
r_work	0.1890
r_free	0.2260

fit	/app/data/saxs_computation/e3/1e3w/1e3w.fit
pddf	/app/data/pr_computation/e3/1e3w/1e3w.pr.out
profile	/app/data/saxs_computation/e3/1e3w/1e3w.dat

Rat brain 3-hydroxyacyl-CoA dehydrogenase binary complex with NADH and 3-keto butyrate

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 (7)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 non-polymer

Entity 7 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)