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1eko

PIG ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR

Method: X-RAY DIFFRACTION D_max: 60.5 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1eko
deposition_date	2000-03-09
title	PIG ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR
keywords	ALDOSE REDUCTASE, INHIBITION, DIABETES, 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	19.97 Å
rg_electron	18.79 Å
i0	22535000.00
molecular_weight	36906.0 kDa
excluded_volume	46408 Å³
envelope_volume	51244 Å³
shell_volume	22096 Å³
envelope_diameter	62.2 Å
shell_rg	25.85 Å
envelope_rg	19.05 Å
shape_rg	18.79 Å
total_rg	19.70 Å
total_atoms	2598
n_residues	314
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	60.5 Å
rg_real	19.81 Å
rg_real_error	0.31 Å
i0_real	2.2540e+07
i0_real_error	2.7730e+05
rg_reciprocal	19.84 Å
i0_reciprocal	22540000.0000
total_estimate	0.9044
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	25.6 Å
skewness	0.128
kurtosis	-0.481
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	6688000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.928; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.986; Smooth: 0.983

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ALDOSE REDUCTASE
formula_weight	35824.0 kDa
ec_number	1.1.1.21
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2669

ASHLVLYTGAKMPILGLGTWKSPPGKVTEAVKVAIDLGYRHIDCAHVYQNENEVGLGLQEKLQGQVVKREDLFIVSKLWCTDHEKNLVKGACQTTLRDLKLDYLDLYLIHWPTGFKPGKDPFPLDGDGNVVPDESDFVETWEAMEELVDEGLVKAIGVSNFNHLQVEKILNKPGLKYKPAVNQIEVHPYLTQEKLIEYCKSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKYNKTTAQVLIRFPMQRNLIVIPKSVTPERIAENFQVFDFELSPEDMNTLLSYNRNWRVCALMSCASHKDYPFHEEY

Entity 2 non-polymer

description	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
formula_weight	743.4 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	[2,6-DIMETHYL-4-(2-O-TOLYL-ACETYLAMINO)-BENZENESULFONYL]-GLYCINE
formula_weight	390.5 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	71

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6. Citations (2)

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length_a	68.810 Å
length_b	68.810 Å
length_c	154.770 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	2.200 Å
resolution_low	8.000 Å
r_factor	0.2160
r_work	0.2160
r_free	0.2730

fit	/app/data/saxs_computation/ek/1eko/1eko.fit
pddf	/app/data/pr_computation/ek/1eko/1eko.pr.out
profile	/app/data/saxs_computation/ek/1eko/1eko.dat

PIG ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR

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