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1ah0

PIG ALDOSE REDUCTASE COMPLEXED WITH SORBINIL

Method: X-RAY DIFFRACTION D_max: 60.6 Å Quality: EXCELLENT

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1ah0
deposition_date	1997-04-11
title	PIG ALDOSE REDUCTASE COMPLEXED WITH SORBINIL
keywords	OXIDOREDUCTASE, SORBINIL INHIBITOR, DIABETES; 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	19.81 Å
rg_electron	18.61 Å
i0	22446800.00
molecular_weight	36753.0 kDa
excluded_volume	46189 Å³
envelope_volume	49969 Å³
shell_volume	21721 Å³
envelope_diameter	61.5 Å
shell_rg	25.67 Å
envelope_rg	18.94 Å
shape_rg	18.60 Å
total_rg	19.54 Å
total_atoms	3131
n_residues	315
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	60.6 Å
rg_real	19.65 Å
rg_real_error	0.31 Å
i0_real	2.2450e+07
i0_real_error	2.7980e+05
rg_reciprocal	19.68 Å
i0_reciprocal	22450000.0000
total_estimate	0.9036
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	2
r_peak_primary	24.8 Å
skewness	0.134
kurtosis	-0.475
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	6439000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.918; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ALDOSE REDUCTASE
formula_weight	35808.0 kDa
ec_number	1.1.1.21
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3313

XASHLVLYTGAKMPILGLGTWKSPPGKVTEAVKVAIDLGYRHIDCAHVYQNENEVGLGLQEKLQGQVVKREDLFIVSKLWCTDHEKNLVKGACQTTLRDLKLDYLDLYLIHWPTGFKPGKDPFPLDGDGNVVPDESDFVETWEAMEELVDEGLVKAIGVSNFNHLQVEKILNKPGLKYKPAVNQIEVHPYLTQEKLIEYCKSKGIVVTAYSPLGSPDRPWAKPEDPSLLEDPRIKAIAAKYNKTTAQVLIRFPMQRNLIVIPKSVTPERIAENFQVFDFELSPEDMNTLLSYNRNWRVCALMSCASHKDYPFHEEY

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	SORBINIL
formula_weight	236.2 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	174

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6. Citations (1)

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length_a	67.920 Å
length_b	67.920 Å
length_c	152.800 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	2.300 Å
resolution_low	6.000 Å
r_factor	0.1920
r_work	0.1920
r_free	0.2630

fit	/app/data/saxs_computation/ah/1ah0/1ah0.fit
pddf	/app/data/pr_computation/ah/1ah0/1ah0.pr.out
profile	/app/data/saxs_computation/ah/1ah0/1ah0.dat

PIG ALDOSE REDUCTASE COMPLEXED WITH SORBINIL

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