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1bg3

RAT BRAIN HEXOKINASE TYPE I COMPLEX WITH GLUCOSE AND INHIBITOR GLUCOSE-6-PHOSPHATE

Method: X-RAY DIFFRACTION D_max: 141.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bg3
deposition_date	1998-06-04
title	RAT BRAIN HEXOKINASE TYPE I COMPLEX WITH GLUCOSE AND INHIBITOR GLUCOSE-6-PHOSPHATE
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	42.31 Å
rg_electron	41.91 Å
i0	582102000.00
molecular_weight	196210.0 kDa
excluded_volume	244720 Å³
envelope_volume	319660 Å³
shell_volume	62995 Å³
envelope_diameter	142.3 Å
shell_rg	48.05 Å
envelope_rg	41.05 Å
shape_rg	41.92 Å
total_rg	42.17 Å
total_atoms	13728
n_residues	1804
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	141.2 Å
rg_real	42.26 Å
rg_real_error	1.61 Å
i0_real	5.8210e+08
i0_real_error	9.8840e+06
rg_reciprocal	42.31 Å
i0_reciprocal	582100000.0000
total_estimate	0.8216
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	53.5 Å
skewness	0.261
kurtosis	-0.445
angular_range	— – 0.1850 Å⁻¹
current_alpha	0.0000
highest_alpha	52390000.0000
n_real_points	38
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.893; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	HEXOKINASE
formula_weight	102545.2 kDa
ec_number	2.7.1.1
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	13962

MIAAQLLAYYFTELKDDQVKKIDKYLYAMRLSDEILIDILTRFKKEMKNGLSRDYNPTASVKMLPTFVRSIPDGSEKGDFIALDLGGSSFRILRVQVNHEKNQNVSMESEIYDTPENIVHGSGTQLFDHVADCLGDFMEKKKIKDKKLPVGFTFSFPCRQSKIDEAVLITWTKRFKASGVEGADVVKLLNKAIKKRGDYDANIVAVVNDTVGTMMTCGYDDQQCEVGLIIGTGTNACYMEELRHIDLVEGDEGRMCINTEWGAFGDDGSLEDIRTEFDRELDRGSLNPGKQLFEKMVSGMYMGELVRLILVKMAKEGLLFEGRITPELLTRGKFNTSDVSAIEKDKEGIQNAKEILTRLGVEPSDVDCVSVQHICTIVSFRSANLVAATLGAILNRLRDNKGTPRLRTTVGVDGSLYKMHPQYSRRFHKTLRRLVPDSDVRFLLSESGTGKGAAMVTAVAYRLAEQHRQIEETLAHFRLSKQTLMEVKKRLRTEMEMGLRKETNSKATVKMLPSFVRSIPDGTEHGDFLALDLGGTNFRVLLVKIRSGKKRTVEMHNKIYSIPLEIMQGTGDELFDHIVSCISDFLDYMGIKGPRMPLGFTFSFPCHQTNLDCGILISWTKGFKATDCEGHDVASLLRDAVKRREEFDLDVVAVVNDTVGTMMTCAYEEPTCEIGLIVGTGTNACYMEEMKNVEMVEGNQGQMCINMEWGAFGDNGCLDDIRTDFDKVVDEYSLNSGKQRFEKMISGMYLGEIVRNILIDFTKKGFLFRGQISEPLKTRGIFETKFLSQIESDRLALLQVRAILQQLGLNSTCDDSILVKTVCGVVSKRAAQLCGAGMAAVVEKIRENRGLDHLNVTVGVDGTLYKLHPHFSRIMHQTVKELSPKCTVSFLLSEDGSGKGAALITAVGVRLRGDPSIA

Entity 2 non-polymer

description	beta-D-glucopyranose
formula_weight	180.2 kDa
src_method	man
entity_count	4

Entity 3 non-polymer

description	6-O-phosphono-alpha-D-glucopyranose
formula_weight	260.1 kDa
src_method	man
entity_count	4

Entity 4 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	234

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6. Citations (1)

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length_a	132.100 Å
length_b	77.100 Å
length_c	137.100 Å
angle_alpha	90.00 °
angle_beta	96.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.800 Å
resolution_low	20.000 Å
r_factor	0.1960
r_work	0.1960
r_free	0.2510

fit	/app/data/saxs_computation/bg/1bg3/1bg3.fit
pddf	/app/data/pr_computation/bg/1bg3/1bg3.pr.out
profile	/app/data/saxs_computation/bg/1bg3/1bg3.dat

RAT BRAIN HEXOKINASE TYPE I COMPLEX WITH GLUCOSE AND INHIBITOR GLUCOSE-6-PHOSPHATE

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