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1d3h

HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH ANTIPROLIFERATIVE AGENT A771726

Method: X-RAY DIFFRACTION D_max: 61.0 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1d3h
deposition_date	1999-09-29
title	HUMAN DIHYDROOROTATE DEHYDROGENASE COMPLEXED WITH ANTIPROLIFERATIVE AGENT A771726
keywords	ALPHA-BETA BARREL, MEMBRANE BINDING MOTIF, 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	20.35 Å
rg_electron	19.04 Å
i0	28601200.00
molecular_weight	40459.0 kDa
excluded_volume	50496 Å³
envelope_volume	56479 Å³
shell_volume	23621 Å³
envelope_diameter	61.5 Å
shell_rg	26.58 Å
envelope_rg	19.43 Å
shape_rg	19.01 Å
total_rg	20.06 Å
total_atoms	2848
n_residues	364
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	61.0 Å
rg_real	20.19 Å
rg_real_error	0.21 Å
i0_real	2.8600e+07
i0_real_error	3.3590e+05
rg_reciprocal	20.22 Å
i0_reciprocal	28600000.0000
total_estimate	0.9027
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	26.1 Å
skewness	0.063
kurtosis	-0.493
angular_range	— – 0.3900 Å⁻¹
current_alpha	0.0000
highest_alpha	8631000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.924; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.990

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4. Crystallography & Experiment

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5. Entities & Polymer Info (7)

Entity 1 polymer

description	DIHYDROOROTATE DEHYDROGENASE
formula_weight	39856.5 kDa
ec_number	1.3.3.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3158

MATGDERFYAEHLMPTLQGLLDPESAHRLAVRFTSLGLLPRARFQDSDMLEVRVLGHKFRNPVGIAAGFDKHGEAVDGLYKMGFGFVEIGSVTPKPQEGNPRPRVFRLPEDQAVINRYGFNSHGLSVVEHRLRARQQKQAKLTEDGLPLGVNLGKNKTSVDAAEDYAEGVRVLGPLADYLVVNVSSPNTAGLRSLQGKAELRRLLTKVLQERDGLRRVHRPAVLVKIAPDLTSQDKEDIASVVKELGIDGLIVTNTTVSRPAGLQGALRSETGGLSGKPLRDLSTQTIREMYALTQGRVPIIGVGGVSSGQDALEKIRAGASLVQLYTALTFWGPPVVGKVKRELEALLKEQGFGGVTDAIGADHRR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	ACETATE ION
formula_weight	59.0 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	(2Z)-2-cyano-3-hydroxy-N-[4-(trifluoromethyl)phenyl]but-2-enamide
formula_weight	270.2 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	FLAVIN MONONUCLEOTIDE
formula_weight	456.3 kDa
src_method	syn
entity_count	1

Entity 6 non-polymer

description	OROTIC ACID
formula_weight	156.1 kDa
src_method	syn
entity_count	1

Entity 7 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	298

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6. Citations (1)

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length_a	90.610 Å
length_b	90.610 Å
length_c	122.410 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	1.800 Å
resolution_low	30.000 Å
r_factor	0.1620
r_work	0.1620
r_free	0.1850

fit	/app/data/saxs_computation/d3/1d3h/1d3h.fit
pddf	/app/data/pr_computation/d3/1d3h/1d3h.pr.out
profile	/app/data/saxs_computation/d3/1d3h/1d3h.dat