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1el3

HUMAN ALDOSE REDUCTASE COMPLEXED WITH IDD384 INHIBITOR

Method: X-RAY DIFFRACTION D_max: 62.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1el3
deposition_date	2000-03-13
title	HUMAN 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	19.99 Å
rg_electron	18.79 Å
i0	22743500.00
molecular_weight	36985.0 kDa
excluded_volume	46519 Å³
envelope_volume	51474 Å³
shell_volume	22157 Å³
envelope_diameter	64.3 Å
shell_rg	25.87 Å
envelope_rg	19.11 Å
shape_rg	18.79 Å
total_rg	19.72 Å
total_atoms	2600
n_residues	316
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	62.0 Å
rg_real	19.83 Å
rg_real_error	0.27 Å
i0_real	2.2740e+07
i0_real_error	2.5140e+05
rg_reciprocal	19.86 Å
i0_reciprocal	22740000.0000
total_estimate	0.8993
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.3 Å
skewness	0.141
kurtosis	-0.459
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	6826000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.901; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.991; Smooth: 0.991

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ALDOSE REDUCTASE
formula_weight	35898.3 kDa
ec_number	1.1.1.21
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2839

MASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVCALLSCTSHKDYPFHEEF

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

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	239

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6. Citations (1)

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length_a	49.930 Å
length_b	67.210 Å
length_c	47.650 Å
angle_alpha	90.00 °
angle_beta	92.50 °
angle_gamma	90.00 °
z_pdb	2

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	1.700 Å
resolution_low	8.000 Å
r_factor	0.1650
r_work	0.1650
r_free	0.1920

fit	/app/data/saxs_computation/el/1el3/1el3.fit
pddf	/app/data/pr_computation/el/1el3/1el3.pr.out
profile	/app/data/saxs_computation/el/1el3/1el3.dat

HUMAN 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