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1e7y

ACTIVE SITE MUTANT (D177->N) OF GLUCOSE 6-PHOSPHATE DEHYDROGENASE FROM LEUCONOSTOC MESENTEROIDES COMPLEXED WITH SUBSTRATE AND NADPH

Method: X-RAY DIFFRACTION D_max: 86.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e7y
deposition_date	2000-09-12
title	ACTIVE SITE MUTANT (D177->N) OF GLUCOSE 6-PHOSPHATE DEHYDROGENASE FROM LEUCONOSTOC MESENTEROIDES COMPLEXED WITH SUBSTRATE AND NADPH
keywords	OXIDOREDUCTASE, OXIDOREDUCTASE (CHOH(D) - NAD(P)), GLUCOSE METABOLISM; 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	25.30 Å
rg_electron	24.24 Å
i0	50380400.00
molecular_weight	55014.0 kDa
excluded_volume	68667 Å³
envelope_volume	81609 Å³
shell_volume	28235 Å³
envelope_diameter	90.4 Å
shell_rg	31.10 Å
envelope_rg	24.55 Å
shape_rg	24.26 Å
total_rg	24.95 Å
total_atoms	3884
n_residues	485
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	86.7 Å
rg_real	25.29 Å
rg_real_error	0.65 Å
i0_real	5.0380e+07
i0_real_error	7.2300e+05
rg_reciprocal	25.29 Å
i0_reciprocal	50380000.0000
total_estimate	0.8708
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.9 Å
skewness	0.395
kurtosis	-0.088
angular_range	— – 0.3150 Å⁻¹
current_alpha	0.0000
highest_alpha	7738000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.786; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.969; Smooth: 0.991

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	GLUCOSE 6-PHOSPHATE 1-DEHYDROGENASE
formula_weight	54368.7 kDa
ec_number	1.1.1.49
mutation	YES
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	4015

VSEIKTLVTFFGGTGDLAKRKLYPSVFNLYKKGYLQKHFAIVGTARQALNDDEFKQLVRDSIKDFTDDQAQAEAFIEHFSYRAHDVTDAASYAVLKEAIEEAADKFDIDGNRIFYMSVAPRFFGTIAKYLKSEGLLADTGYNRLMIEKPFGTSYDTAAELQNDLENAFDDNQLFRINHYLGKEMVQNIAALRFGNPIFDAAWNKDYIKNVQVTLSEVLGVEERAGYYDTAGALLDMIQNHTMQIVGWLAMEKPESFTDKDIRAAKNAAFNALKIYDEAEVNKYFVRAQYGAGDSADFKPYLEELDVPADSKNNTFIAGELQFDLPRWEGVPFYVRSGKRLAAKQTRVDIVFKAGTFNFGSEQEAQEAVLSIIIDPKGAIELKLNAKSVEDAFNTRTIDLGWTVSDEDKKNTPEPYERMIHDTMNGDGSNFADWNGVSIAWKFVDAISAVYTADKAPLETYKSGSMGPEASDKLLAANGDAWVFKG

Source

organism	LEUCONOSTOC MESENTEROIDES
ncbi_taxonomy_id	1245
host_organism	ESCHERICHIA COLI

Entity 2 non-polymer

description	6-O-phosphono-beta-D-glucopyranose
formula_weight	260.1 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	NADPH DIHYDRO-NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE
formula_weight	745.4 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	131

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6. Citations (3)

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length_a	129.000 Å
length_b	44.000 Å
length_c	91.100 Å
angle_alpha	90.00 °
angle_beta	105.20 °
angle_gamma	90.00 °
z_pdb	4

space_group	C 1 2 1
int_tables_number	5
crystal_system	—

resolution	2.480 Å
resolution_low	22.900 Å
r_factor	0.2050
r_work	0.2050
r_free	0.2960

fit	/app/data/saxs_computation/e7/1e7y/1e7y.fit
pddf	/app/data/pr_computation/e7/1e7y/1e7y.pr.out
profile	/app/data/saxs_computation/e7/1e7y/1e7y.dat