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1e3i

Mouse class II alcohol dehydrogenase complex with NADH and inhibitor

Method: X-RAY DIFFRACTION D_max: 102.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e3i
deposition_date	2000-06-16
title	Mouse class II alcohol dehydrogenase complex with NADH and inhibitor
keywords	OXIDOREDUCTASE; 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	30.12 Å
rg_electron	29.97 Å
i0	105278000.00
molecular_weight	81666.0 kDa
excluded_volume	102400 Å³
envelope_volume	119350 Å³
shell_volume	34086 Å³
envelope_diameter	108.3 Å
shell_rg	36.06 Å
envelope_rg	30.07 Å
shape_rg	29.99 Å
total_rg	30.43 Å
total_atoms	5690
n_residues	749
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	102.8 Å
rg_real	30.29 Å
rg_real_error	0.91 Å
i0_real	1.0530e+08
i0_real_error	1.5760e+06
rg_reciprocal	30.22 Å
i0_reciprocal	105300000.0000
total_estimate	0.8569
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	29.1 Å
skewness	0.485
kurtosis	-0.361
angular_range	— – 0.2650 Å⁻¹
current_alpha	0.0000
highest_alpha	62950000.0000
n_real_points	54
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.769; Stabil: 0.998; Sysdev: 1.000; Positv: 1.000; Valcen: 0.864; Smooth: 0.970

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	ALCOHOL DEHYDROGENASE, CLASS II
formula_weight	40094.4 kDa
ec_number	1.1.1.1
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	6059

GTQGKVIKCKAAIAWKTGSPLCIEEIEVSPPKACEVRIQVIATCVCPTDINATDPKKKALFPVVLGHECAGIVESVGPGVTNFKPGDKVIPFFAPQCKRCKLCLSPLTNLCGKLRNFKYPTIDQELMEDRTSRFTCKGRSIYHFMGVSSFSQYTVVSEANLARVDDEANLERVCLIGCGFSSGYGAAINTAKVTPGSTCAVFGLGCVGLSAIIGCKIAGASRIIAIDINGEKFPKAKALGATDCLNPRELDKPVQDVITELTAGGVDYSLDCAGTAQTLKAAVDCTVLGWGSCTVVGAKVDEMTIPTVDVILGRSINGTFFGGWKSVDSVPNLVSDYKNKKFDLDLLVTHALPFESINDAIDLMKEGKSIRTILTF

Source

organism	MUS MUSCULUS
common_name	HOUSE MOUSE
ncbi_taxonomy_id	10090
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	1,4-DIHYDRONICOTINAMIDE ADENINE DINUCLEOTIDE
formula_weight	665.4 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	CYCLOHEXYLFORMAMIDE
formula_weight	127.2 kDa
src_method	syn
entity_count	2

Entity 4 non-polymer

description	ZINC ION
formula_weight	65.4 kDa
src_method	syn
entity_count	4

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	369

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6. Citations (2)

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length_a	79.253 Å
length_b	81.070 Å
length_c	102.187 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.080 Å
resolution_low	25.000 Å
r_factor	0.1980
r_work	0.1980
r_free	0.2280

fit	/app/data/saxs_computation/e3/1e3i/1e3i.fit
pddf	/app/data/pr_computation/e3/1e3i/1e3i.pr.out
profile	/app/data/saxs_computation/e3/1e3i/1e3i.dat