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1dqa

COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH HMG, COA, AND NADP+

Method: X-RAY DIFFRACTION D_max: 113.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dqa
deposition_date	1999-12-30
title	COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH HMG, COA, AND NADP+
keywords	OXIDOREDUCTASE, CHOLESTEROL BIOSYNTHESIS, HMG-COA, NADPH; 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	33.35 Å
rg_electron	32.76 Å
i0	535442000.00
molecular_weight	178960.0 kDa
excluded_volume	220820 Å³
envelope_volume	256600 Å³
shell_volume	60882 Å³
envelope_diameter	122.4 Å
shell_rg	42.21 Å
envelope_rg	33.39 Å
shape_rg	32.79 Å
total_rg	33.30 Å
total_atoms	12438
n_residues	1614
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	113.0 Å
rg_real	33.24 Å
rg_real_error	0.69 Å
i0_real	5.3540e+08
i0_real_error	8.0350e+06
rg_reciprocal	33.31 Å
i0_reciprocal	535500000.0000
total_estimate	0.8655
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	40.9 Å
skewness	0.290
kurtosis	-0.230
angular_range	— – 0.2350 Å⁻¹
current_alpha	0.0000
highest_alpha	152400000.0000
n_real_points	48
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.759; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.969

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PROTEIN (HMG-COA REDUCTASE)
formula_weight	50021.5 kDa
ec_number	1.1.1.34
mutation	YES
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	12909

GAMASSVLVTQEPEIELPREPRPNEECLQILGNAEKGAKFLSDAEIIQLVNAKHIPAYKLETLIETHERGVSIRRQLLSKKLSEPSSLQYLPYRDYNYSLVMGACCENVIGYMPIPVGVAGPLCLDEKEFQVPMATTEGCLVASTNRGCRAIGLGGGASSRVLADGMTRGPVVRLPRACDSAEVKAWLETSEGFAVIKEAFDSTSRFARLQKLHTSIAGRNLYIRFQSRSGDAMGMNMISKGTEKALSKLHEYFPEMQILAVSGNYCTDKKPAAINWIEGRGKSVVCEAVIPAKVVREVLKTTTEAMIEVNINKNLVGSAMAGSIGGYNAHAANIVTAIYIACGQDAAQNVGSSNCITLMEASGPTNEDLYISCTMPSIEIGTVGGGTNLLPQQACLQMLGVQGACKDNPGENARQLARIVCGTVMAGELSLMAALAAGHLVKSHMIHNRSKINLQDLQGACTKKTA

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	COENZYME A
formula_weight	767.5 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	3-HYDROXY-3-METHYL-GLUTARIC ACID
formula_weight	162.1 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
formula_weight	743.4 kDa
src_method	syn
entity_count	4

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	471

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6. Citations (1)

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length_a	73.918 Å
length_b	172.630 Å
length_c	73.991 Å
angle_alpha	90.00 °
angle_beta	117.50 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.000 Å
resolution_low	44.000 Å
r_factor	0.1680
r_work	0.1680
r_free	0.1970

fit	/app/data/saxs_computation/dq/1dqa/1dqa.fit
pddf	/app/data/pr_computation/dq/1dqa/1dqa.pr.out
profile	/app/data/saxs_computation/dq/1dqa/1dqa.dat