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1eqh

THE 2.7 ANGSTROM MODEL OF OVINE COX-1 COMPLEXED WITH FLURBIPROFEN

Method: X-RAY DIFFRACTION D_max: 100.6 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eqh
deposition_date	2000-04-04
title	THE 2.7 ANGSTROM MODEL OF OVINE COX-1 COMPLEXED WITH FLURBIPROFEN
keywords	EGF DOMAIN, NSAID Binding, Flurbiprofen, Membrane-Binding Domain, Cyclooxygenase, Peroxidase, Oxidoreductase, Dioxygenase; 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	32.18 Å
rg_electron	31.28 Å
i0	249240000.00
molecular_weight	131490.0 kDa
excluded_volume	166250 Å³
envelope_volume	194500 Å³
shell_volume	49801 Å³
envelope_diameter	103.8 Å
shell_rg	40.06 Å
envelope_rg	31.19 Å
shape_rg	31.26 Å
total_rg	32.04 Å
total_atoms	9276
n_residues	1102
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	100.6 Å
rg_real	32.02 Å
rg_real_error	0.54 Å
i0_real	2.4920e+08
i0_real_error	3.2800e+06
rg_reciprocal	32.09 Å
i0_reciprocal	249300000.0000
total_estimate	0.9025
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	39.0 Å
skewness	0.210
kurtosis	-0.496
angular_range	— – 0.2450 Å⁻¹
current_alpha	0.0000
highest_alpha	80160000.0000
n_real_points	50
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.929; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.992; Smooth: 0.949

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	PROSTAGLANDIN H2 SYNTHASE-1
formula_weight	66595.3 kDa
ec_number	1.14.99.1
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	9530

PVFSADPGAPAPVNPCCYYPCQHQGICVRFGLDRYQCDCTRTGYSGPNCTIPEIWTWLRTTLRPSPSFIHFLLTHGRWLWDFVNATFIRDTLMRLVLTVRSNLIPSPPTYNIAHDYISWESFSNVSYYTRILPSVPRDCPTPMGTKGKKQLPDAEFLSRRFLLRRKFIPDPQGTNLMFAFFAQHFTHQFFKTSGKMGPGFTKALGHGVDLGHIYGDNLERQYQLRLFKDGKLKYQMLNGEVYPPSVEEAPVLMHYPRGIPPQSQMAVGQEVFGLLPGLMLYATIWLREHNRVCDLLKAEHPTWGDEQLFQTARLILIGETIKIVIEEYVQQLSGYFLQLKFDPELLFGAQFQYRNRIAMEFNQLYHWHPLMPDSFRVGPQDYSYEQFLFNTSMLVDYGVEALVDAFSRQPAGRIGGGRNIDHHILHVAVDVIKESRVLRLQPFNEYRKRFGMKPYTSFQELTGEKEMAAELEELYGDIDALEFYPGLLLEKCHPNSIFGESMIEMGAPFSLKGLLGNPICSPEYWKASTFGGEVGFNLVKTATLKKLVCLNTKTCPYVSFHVPDPRQEDRPGVERPPTEL

Entity 2 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	man
entity_count	10

Entity 3 non-polymer

description	octyl beta-D-glucopyranoside
formula_weight	292.4 kDa
src_method	man
entity_count	3

Entity 4 non-polymer

description	PROTOPORPHYRIN IX CONTAINING FE
formula_weight	616.5 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	FLURBIPROFEN
formula_weight	244.3 kDa
src_method	syn
entity_count	2

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	254

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6. Citations (1)

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length_a	98.686 Å
length_b	206.518 Å
length_c	220.339 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	I 2 2 2
int_tables_number	23
crystal_system	—

resolution	2.700 Å
resolution_low	44.790 Å
r_factor	0.2100
r_work	0.2100
r_free	0.2420

fit	/app/data/saxs_computation/eq/1eqh/1eqh.fit
pddf	/app/data/pr_computation/eq/1eqh/1eqh.pr.out
profile	/app/data/saxs_computation/eq/1eqh/1eqh.dat