← Back to search

1e92

Pteridine reductase 1 from Leishmania major complexed with NADP+ and dihydrobiopterin

Method: X-RAY DIFFRACTION D_max: 92.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

▼

1. Structure Basics

entry_id	1e92
deposition_date	2000-10-04
title	Pteridine reductase 1 from Leishmania major complexed with NADP+ and dihydrobiopterin
keywords	PTERIDINE REDUCTASE, TRYPANOSOMATIDS, DRUG RESISTANCE, PTERIN SALVAGE, SHORT-CHAIN DEHYDROGENASE/REDUCTASE; PTERIDINE REDUCTASE
method	X-RAY DIFFRACTION

▼

Download Data

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

▼

2. SAXS Parameters (CRYSOL)

rg_guinier	29.86 Å
rg_electron	28.79 Å
i0	219911000.00
molecular_weight	115300.0 kDa
excluded_volume	143160 Å³
envelope_volume	166440 Å³
shell_volume	45909 Å³
envelope_diameter	95.9 Å
shell_rg	38.08 Å
envelope_rg	28.97 Å
shape_rg	28.81 Å
total_rg	29.47 Å
total_atoms	8082
n_residues	1047
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	92.6 Å
rg_real	29.70 Å
rg_real_error	0.46 Å
i0_real	2.1990e+08
i0_real_error	2.9810e+06
rg_reciprocal	29.77 Å
i0_reciprocal	219900000.0000
total_estimate	0.8986
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	38.4 Å
skewness	0.172
kurtosis	-0.457
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	53720000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.920; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.985; Smooth: 0.931

▶

4. Crystallography & Experiment

▶

5. Entities & Polymer Info (5)

Entity 1 polymer

description	PTERIDINE REDUCTASE 1
formula_weight	30440.6 kDa
ec_number	1.1.1.253
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	8522

MTAPTVPVALVTGAAKRLGRSIAEGLHAEGYAVCLHYHRSAAEANALSATLNARRPNSAITVQADLSNVATAPVSGADGSAPVTLFTRCAELVAACYTHWGRCDVLVNNASSFYPTPLLRNDEDGHEPCVGDREAMETATADLFGSNAIAPYFLIKAFAHRVAGTPAKHRGTNYSIINMVDAMTNQPLLGYTIYTMAKGALEGLTRSAALELAPLQIRVNGVGPGLSVLVDDMPPAVWEGHRSKVPLYQRDSSAAEVSDVVIFLCSSKAKYITGTCVKVDGGYSLTRA

Source

organism	LEISHMANIA MAJOR
ncbi_taxonomy_id	5664
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
formula_weight	743.4 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	7,8-DIHYDROBIOPTERIN
formula_weight	239.2 kDa
src_method	syn
entity_count	4

Entity 4 non-polymer

description	1,2-ETHANEDIOL
formula_weight	62.1 kDa
src_method	syn
entity_count	4

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	434

▶

6. Citations (1)

▶

length_a	94.338 Å
length_b	103.801 Å
length_c	137.412 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	16

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.200 Å
resolution_low	27.770 Å
r_factor	0.1980
r_work	0.1980
r_free	0.2270

fit	/app/data/saxs_computation/e9/1e92/1e92.fit
pddf	/app/data/pr_computation/e9/1e92/1e92.pr.out
profile	/app/data/saxs_computation/e9/1e92/1e92.dat