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1bdg

HEXOKINASE FROM SCHISTOSOMA MANSONI COMPLEXED WITH GLUCOSE

Method: X-RAY DIFFRACTION D_max: 78.7 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bdg
deposition_date	1998-05-08
title	HEXOKINASE FROM SCHISTOSOMA MANSONI COMPLEXED WITH GLUCOSE
keywords	HEXOKINASE, PHOSPHOTRANSFERASE; HEXOKINASE
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	23.37 Å
rg_electron	22.40 Å
i0	39776300.00
molecular_weight	48200.0 kDa
excluded_volume	60019 Å³
envelope_volume	69878 Å³
shell_volume	25798 Å³
envelope_diameter	81.2 Å
shell_rg	29.74 Å
envelope_rg	22.78 Å
shape_rg	22.43 Å
total_rg	23.16 Å
total_atoms	3377
n_residues	444
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	78.7 Å
rg_real	23.32 Å
rg_real_error	0.54 Å
i0_real	3.9780e+07
i0_real_error	5.5740e+05
rg_reciprocal	23.33 Å
i0_reciprocal	39780000.0000
total_estimate	0.8785
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	26.6 Å
skewness	0.303
kurtosis	-0.358
angular_range	— – 0.3400 Å⁻¹
current_alpha	0.0000
highest_alpha	12950000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.815; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.996; Smooth: 0.975

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	HEXOKINASE
formula_weight	50510.9 kDa
ec_number	2.7.1.1
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3481

MVFSDQQLFEKVVEILKPFDLSVVDYEEICDRMGESMRLGLQKSTNEKSSIKMFPSYVTKTPNGTETGNFLALDLGGTNYRVLSVTLEGKGKSPRIQERTYCIPAEKMSGSGTELFKYIAETLADFLENNGMKDKKFDLGFTFSFPCVQKGLTHATLVRWTKGFSADGVEGHNVAELLQTELDKRELNVKCVAVVNDTVGTLASCALEDPKCAVGLIVGTGTNVAYIEDSSKVELMDGVKEPEVVINTEWGAFGEKGELDCWRTQFDKSMDIDSLHPGKQLYEKMVSGMYLGELVRHIIVYLVEQKILFRGDLPERLKVRNSLLTRYLTDVERDPAHLLYNTHYMLTDDLHVPVVEPIDNRIVRYACEMVVKRAAYLAGAGIACILRRINRSEVTVGVDGSLYKFHPKFCERMTDMVDKLKPKNTRFCLRLSEDGSGKGAAAIAASCTRQN

Source

organism	Schistosoma mansoni
ncbi_taxonomy_id	6183
host_organism	Escherichia coli

Entity 2 non-polymer

description	alpha-D-glucopyranose
formula_weight	180.2 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	3

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	104

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6. Citations (1)

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length_a	114.300 Å
length_b	114.300 Å
length_c	155.200 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 61 2 2
int_tables_number	178
crystal_system	—

resolution	2.600 Å
resolution_low	20.000 Å
r_factor	0.1730
r_work	0.1730
r_free	0.2560

fit	/app/data/saxs_computation/bd/1bdg/1bdg.fit
pddf	/app/data/pr_computation/bd/1bdg/1bdg.pr.out
profile	/app/data/saxs_computation/bd/1bdg/1bdg.dat

HEXOKINASE FROM SCHISTOSOMA MANSONI COMPLEXED WITH GLUCOSE

SAXS Profile

P(r) Distribution

1. Structure Basics

Download Data

2. SAXS Parameters (CRYSOL)

3. P(r) Analysis (GNOM)

4. Crystallography & Experiment

Unit Cell

Symmetry

Refinement

Diffraction