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1b2l

ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS: TERNARY COMPLEX WITH NAD-CYCLOHEXANONE

Method: X-RAY DIFFRACTION D_max: 63.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1b2l
deposition_date	1998-11-26
title	ALCOHOL DEHYDROGENASE FROM DROSOPHILA LEBANONENSIS: TERNARY COMPLEX WITH NAD-CYCLOHEXANONE
keywords	;OXIDOREDUCTASE, DETOXIFICATION, METABOLISM, ALCOHOL DEHYDROGENASE, DROSOPHILA LEBANONENSIS, SHORT-CHAIN DEHYDROGENASES/REDUCTASES, TERNARY COMPLEX, NAD- CYCLOHEXANONE ADDUCT ;; 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	18.89 Å
rg_electron	17.81 Å
i0	13938000.00
molecular_weight	28845.0 kDa
excluded_volume	36506 Å³
envelope_volume	40932 Å³
shell_volume	18997 Å³
envelope_diameter	58.7 Å
shell_rg	24.35 Å
envelope_rg	18.18 Å
shape_rg	17.81 Å
total_rg	18.79 Å
total_atoms	2030
n_residues	254
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	63.7 Å
rg_real	18.78 Å
rg_real_error	0.43 Å
i0_real	1.3940e+07
i0_real_error	1.7990e+05
rg_reciprocal	18.79 Å
i0_reciprocal	13940000.0000
total_estimate	0.7835
solution_quality	GOOD a GOOD solution
n_peaks	3
r_peak_primary	24.8 Å
skewness	0.187
kurtosis	-0.359
angular_range	— – 0.4200 Å⁻¹
current_alpha	0.0000
highest_alpha	3005000.0000
n_real_points	73
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.734; Stabil: 0.993; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	ALCOHOL DEHYDROGENASE
formula_weight	27824.0 kDa
ec_number	1.1.1.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2268

MDLTNKNVIFVAALGGIGLDTSRELVKRNLKNFVILDRVENPTALAELKAINPKVNITFHTYDVTVPVAESKKLLKKIFDQLKTVDILINGAGILDDHQIERTIAINFTGLVNTTTAILDFWDKRKGGPGGIIANICSVTGFNAIHQVPVYSASKAAVVSFTNSLAKLAPITGVTAYSINPGITRTPLVHTFNSWLDVEPRVAELLLSHPTQTSEQCGQNFVKAIEANKNGAIWKLDLGTLEAIEWTKHWDSHI

Entity 2 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	NICOTINAMIDE ADENINE DINUCLEOTIDE CYCLOHEXANONE
formula_weight	759.6 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	CYCLOHEXANONE
formula_weight	98.1 kDa
src_method	syn
entity_count	1

Entity 5 non-polymer

description	2,3-DIHYDROXY-1,4-DITHIOBUTANE
formula_weight	154.3 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	232

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6. Citations (2)

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length_a	54.100 Å
length_b	54.100 Å
length_c	168.800 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 32 2 1
int_tables_number	154
crystal_system	—

resolution	1.600 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.1900
r_free	0.2120

fit	/app/data/saxs_computation/b2/1b2l/1b2l.fit
pddf	/app/data/pr_computation/b2/1b2l/1b2l.pr.out
profile	/app/data/saxs_computation/b2/1b2l/1b2l.dat