← Back to search

1az1

ALRESTATIN BOUND TO C298A/W219Y MUTANT HUMAN ALDOSE REDUCTASE

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

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1az1
deposition_date	1997-11-24
title	ALRESTATIN BOUND TO C298A/W219Y MUTANT HUMAN ALDOSE REDUCTASE
keywords	OXIDOREDUCTASE, ALDO-KETO REDUCTASE, INHIBITOR BINDING; OXIDOREDUCTASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	20.06 Å
rg_electron	18.87 Å
i0	22517600.00
molecular_weight	36848.0 kDa
excluded_volume	46357 Å³
envelope_volume	51599 Å³
shell_volume	22136 Å³
envelope_diameter	63.9 Å
shell_rg	25.94 Å
envelope_rg	19.23 Å
shape_rg	18.86 Å
total_rg	19.85 Å
total_atoms	2595
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	62.0 Å
rg_real	19.93 Å
rg_real_error	0.25 Å
i0_real	2.2520e+07
i0_real_error	2.5620e+05
rg_reciprocal	19.96 Å
i0_reciprocal	22520000.0000
total_estimate	0.8991
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.7 Å
skewness	0.146
kurtosis	-0.456
angular_range	— – 0.3950 Å⁻¹
current_alpha	0.0000
highest_alpha	7101000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.910; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.983; Smooth: 0.972

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (4)

Entity 1 polymer

description	ALDOSE REDUCTASE
formula_weight	35712.0 kDa
ec_number	1.1.1.21
mutation	W219Y, C298A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2815

ASRLLLNNGAKMPILGLGTWKSPPGQVTEAVKVAIDVGYRHIDCAHVYQNENEVGVAIQEKLREQVVKREELFIVSKLWCTYHEKGLVKGACQKTLSDLKLDYLDLYLIHWPTGFKPGKEFFPLDESGNVVPSDTNILDTWAAMEELVDEGLVKAIGISNFNHLQVEMILNKPGLKYKPAVNQIECHPYLTQEKLIQYCQSKGIVVTAYSPLGSPDRPYAKPEDPSLLEDPRIKAIAAKHNKTTAQVLIRFPMQRNLVVIPKSVTPERIAENFKVFDFELSSQDMTTLLSYNRNWRVAALLSCTSHKDYPFHEEF

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli BL21(DE3)

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	ALRESTATIN
formula_weight	255.2 kDa
src_method	syn
entity_count	2

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	220

▶

6. Citations (1)

▶

length_a	49.958 Å
length_b	67.068 Å
length_c	92.190 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	1.800 Å
resolution_low	10.000 Å
r_factor	0.1770
r_work	0.1770
r_free	0.2320

fit	/app/data/saxs_computation/az/1az1/1az1.fit
pddf	/app/data/pr_computation/az/1az1/1az1.pr.out
profile	/app/data/saxs_computation/az/1az1/1az1.dat

ALRESTATIN BOUND TO C298A/W219Y MUTANT HUMAN ALDOSE REDUCTASE

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