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1efk

STRUCTURE OF HUMAN MALIC ENZYME IN COMPLEX WITH KETOMALONATE

Method: X-RAY DIFFRACTION D_max: 140.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1efk
deposition_date	2000-02-09
title	STRUCTURE OF HUMAN MALIC ENZYME IN COMPLEX WITH KETOMALONATE
keywords	malic enzyme, closed form, quaternary complex, 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	44.28 Å
rg_electron	44.20 Å
i0	974521000.00
molecular_weight	256760.0 kDa
excluded_volume	319930 Å³
envelope_volume	396250 Å³
shell_volume	75070 Å³
envelope_diameter	148.7 Å
shell_rg	48.43 Å
envelope_rg	44.11 Å
shape_rg	44.23 Å
total_rg	44.30 Å
total_atoms	17856
n_residues	2156
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	140.2 Å
rg_real	44.25 Å
rg_real_error	1.09 Å
i0_real	9.7450e+08
i0_real_error	1.7310e+07
rg_reciprocal	44.28 Å
i0_reciprocal	974600000.0000
total_estimate	0.8742
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	50.6 Å
skewness	0.289
kurtosis	-0.382
angular_range	— – 0.1800 Å⁻¹
current_alpha	0.0000
highest_alpha	179600000.0000
n_real_points	37
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.938; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.548

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	MALIC ENZYME
formula_weight	66224.9 kDa
ec_number	1.1.1.39
src_method	man
entity_count	4

Polymer

type	polypeptide(L)
strand_id	A,B,C,D
atom_count	17931

MLSRLRVVSTTCTLACRHLHIKEKGKPLMLNPRTNKGMAFTLQERQMLGLQGLLPPKIETQDIQALRFHRNLKKMTSPLEKYIYIMGIQERNEKLFYRILQDDIESLMPIVYTPTVGLACSQYGHIFRRPKGLFISISDRGHVRSIVDNWPENHVKAVVVTDGERILGLGDLGVYGMGIPVGKLCLYTACAGIRPDRCLPVCIDVGTDNIALLKDPFYMGLYQKRDRTQQYDDLIDEFMKAITDRYGRNTLIQFEDFGNHNAFRFLRKYREKYCTFNDDIQGTAAVALAGLLAAQKVISKPISEHKILFLGAGEAALGIANLIVMSMVENGLSEQEAQKKIWMFDKYGLLVKGRKAKIDSYQEPFTHSAPESIPDTFEDAVNILKPSTIIGVAGAGRLFTPDVIRAMASINERPVIFALSNPTAQAECTAEEAYTLTEGRCLFASGSPFGPVKLTDGRVFTPGQGNNVYIFPGVALAVILCNTRHISDSVFLEAAKALTSQLTDEELAQGRLYPPLANIQEVSINIAIKVTEYLYANKMAFRYPEPEDKAKYVKERTWRSEYDSLLPDVYEWPESASSPPVITE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	4

Entity 3 non-polymer

description	NICOTINAMIDE-ADENINE-DINUCLEOTIDE
formula_weight	663.4 kDa
src_method	syn
entity_count	8

Entity 4 non-polymer

description	ALPHA-KETOMALONIC ACID
formula_weight	118.0 kDa
src_method	syn
entity_count	4

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	75

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6. Citations (1)

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length_a	229.600 Å
length_b	118.600 Å
length_c	113.100 Å
angle_alpha	90.00 °
angle_beta	109.60 °
angle_gamma	90.00 °
z_pdb	16

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.600 Å
resolution_low	20.000 Å
r_factor	0.2180
r_work	0.2180
r_free	0.3010

fit	/app/data/saxs_computation/ef/1efk/1efk.fit
pddf	/app/data/pr_computation/ef/1efk/1efk.pr.out
profile	/app/data/saxs_computation/ef/1efk/1efk.dat