← Back to search

1ah3

ALDOSE REDUCTASE COMPLEXED WITH TOLRESTAT INHIBITOR

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

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1ah3
deposition_date	1997-04-12
title	ALDOSE REDUCTASE COMPLEXED WITH TOLRESTAT INHIBITOR
keywords	OXIDOREDUCTASE, ALDOSE REDUCTASE, INHIBITION, DIABETES; OXIDOREDUCTASE
method	X-RAY DIFFRACTION

▼

Download Data

SAXS curve (.dat) P(r) distribution (.pr.out) Structure (CIF)

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	19.85 Å
rg_electron	18.66 Å
i0	22476700.00
molecular_weight	36873.0 kDa
excluded_volume	46337 Å³
envelope_volume	50408 Å³
shell_volume	21844 Å³
envelope_diameter	61.7 Å
shell_rg	25.72 Å
envelope_rg	18.98 Å
shape_rg	18.67 Å
total_rg	19.57 Å
total_atoms	3138
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

▼

3. P(r) Analysis (GNOM)

dmax	60.6 Å
rg_real	19.70 Å
rg_real_error	0.28 Å
i0_real	2.2480e+07
i0_real_error	2.6110e+05
rg_reciprocal	19.72 Å
i0_reciprocal	22480000.0000
total_estimate	0.9039
solution_quality	EXCELLENT a EXCELLENT solution
n_peaks	1
r_peak_primary	24.8 Å
skewness	0.131
kurtosis	-0.479
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	6540000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.921; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.988; Smooth: 0.995

▶

4. Crystallography & Experiment

▶

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	3288

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	TOLRESTAT
formula_weight	357.3 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	150

▶

6. Citations (1)

▶

length_a	68.420 Å
length_b	68.420 Å
length_c	153.560 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	0.2070
r_work	0.2070
r_free	0.2900

fit	/app/data/saxs_computation/ah/1ah3/1ah3.fit
pddf	/app/data/pr_computation/ah/1ah3/1ah3.pr.out
profile	/app/data/saxs_computation/ah/1ah3/1ah3.dat

ALDOSE REDUCTASE COMPLEXED WITH TOLRESTAT 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