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1dq8

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

Method: X-RAY DIFFRACTION D_max: 123.9 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dq8
deposition_date	1999-12-30
title	COMPLEX OF THE CATALYTIC PORTION OF HUMAN HMG-COA REDUCTASE WITH HMG AND COA
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	34.06 Å
rg_electron	33.60 Å
i0	514183000.00
molecular_weight	178020.0 kDa
excluded_volume	220840 Å³
envelope_volume	261650 Å³
shell_volume	61205 Å³
envelope_diameter	134.7 Å
shell_rg	42.37 Å
envelope_rg	34.42 Å
shape_rg	33.64 Å
total_rg	34.04 Å
total_atoms	12386
n_residues	1631
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	123.9 Å
rg_real	34.00 Å
rg_real_error	0.72 Å
i0_real	5.1420e+08
i0_real_error	7.1510e+06
rg_reciprocal	34.04 Å
i0_reciprocal	514200000.0000
total_estimate	0.8307
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	40.4 Å
skewness	0.387
kurtosis	-0.027
angular_range	— – 0.2300 Å⁻¹
current_alpha	0.0001
highest_alpha	201600000.0000
n_real_points	47
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.605; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.980

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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	12667

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	2,3-DIHYDROXY-1,4-DITHIOBUTANE
formula_weight	154.3 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	281

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6. Citations (1)

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length_a	75.297 Å
length_b	130.182 Å
length_c	92.547 Å
angle_alpha	90.00 °
angle_beta	106.48 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.100 Å
resolution_low	38.000 Å
r_factor	0.1990
r_work	0.1990
r_free	0.2390

fit	/app/data/saxs_computation/dq/1dq8/1dq8.fit
pddf	/app/data/pr_computation/dq/1dq8/1dq8.pr.out
profile	/app/data/saxs_computation/dq/1dq8/1dq8.dat