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1dgk

MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I WITH GLUCOSE AND ADP IN THE ACTIVE SITE

Method: X-RAY DIFFRACTION D_max: 131.7 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dgk
deposition_date	1999-11-24
title	MUTANT MONOMER OF RECOMBINANT HUMAN HEXOKINASE TYPE I WITH GLUCOSE AND ADP IN THE ACTIVE SITE
keywords	BRAIN HEXOKINASE, MAMMALIAN HEXOKINASE 1, SUGAR KINASE, TRANSFERASE; TRANSFERASE
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	39.31 Å
rg_electron	39.62 Å
i0	163194000.00
molecular_weight	101570.0 kDa
excluded_volume	126370 Å³
envelope_volume	163860 Å³
shell_volume	36458 Å³
envelope_diameter	141.0 Å
shell_rg	42.46 Å
envelope_rg	39.25 Å
shape_rg	39.61 Å
total_rg	39.80 Å
total_atoms	7102
n_residues	898
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	131.7 Å
rg_real	39.89 Å
rg_real_error	1.40 Å
i0_real	1.6320e+08
i0_real_error	2.8480e+06
rg_reciprocal	39.54 Å
i0_reciprocal	163100000.0000
total_estimate	0.7371
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	29.6 Å
skewness	0.492
kurtosis	-0.606
angular_range	— – 0.2000 Å⁻¹
current_alpha	0.0000
highest_alpha	24360000.0000
n_real_points	41
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.588; Stabil: 0.999; Sysdev: 1.000; Positv: 1.000; Valcen: 0.513; Smooth: 0.303

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	HEXOKINASE TYPE I
formula_weight	102557.0 kDa
ec_number	2.7.1.1
mutation	E280A, R283A, G284Y, T536A
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	N
atom_count	7256

MIAAQLLAYYFTELKDDQVKKIDKYLYAMRLSDETLIDIMTRFRKEMKNGLSRDFNPTATVKMLPTFVRSIPDGSEKGDFIALDLGGSSFRILRVQVNHEKNQNVHMESEVYDTPENIVHGSGSQLFDHVAECLGDFMEKRKIKDKKLPVGFTFSFPCQQSKIDEAILITWTKRFKASGVEGADVVKLLNKAIKKRGDYDANIVAVVNDTVGTMMTCGYDDQHCEVGLIIGTGTNACYMEELRHIDLVEGDEGRMCINTEWGAFGDDGSLEDIRTEFDRAIDAYSLNPGKQLFEKMVSGMYLGELVRLILVKMAKEGLLFEGRITPELLTRGKFNTSDVSAIEKNKEGLHNAKEILTRLGVEPSDDDCVSVQHVCTIVSFRSANLVAATLGAILNRLRDNKGTPRLRTTVGVDGSLYKTHPQYSRRFHKTLRRLVPDSDVRFLLSESGSGKGAAMVTAVAYRLAEQHRQIEETLAHFHLTKDMLLEVKKRMRAEMELGLRKQTHNNAVVKMLPSFVRRTPDGTENGDFLALDLGGANFRVLLVKIRSGKKRTVEMHNKIYAIPIEIMQGTGEELFDHIVSCISDFLDYMGIKGPRMPLGFTFSFPCQQTSLDAGILITWTKGFKATDCVGHDVVTLLRDAIKRREEFDLDVVAVVNDTVGTMMTCAYEEPTCEVGLIVGTGSNACYMEEMKNVEMVEGDQGQMCINMEWGAFGDNGCLDDIRTHYDRLVDEYSLNAGKQRYEKMISGMYLGEIVRNILIDFTKKGFLFRGQISETLKTRGIFETKFLSQIESDRLALLQVRAILQQLGLNSTCDDSILVKTVCGVVSRRAAQLCGAGMAAVVDKIRENRGLDRLNVTVGVDGTLYKLHPHFSRIMHQTVKELSPKCNVSFLLSEDGSGKGAALITAVGVRLRTEASS

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	alpha-D-glucopyranose
formula_weight	180.2 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	PHOSPHATE ION
formula_weight	95.0 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	ADENOSINE-5'-DIPHOSPHATE
formula_weight	427.2 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	94

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6. Citations (3)

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length_a	145.780 Å
length_b	146.830 Å
length_c	58.590 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 2
int_tables_number	18
crystal_system	—

resolution	2.800 Å
resolution_low	8.000 Å
r_factor	0.2600
r_work	0.2580
r_free	0.3080

fit	/app/data/saxs_computation/dg/1dgk/1dgk.fit
pddf	/app/data/pr_computation/dg/1dgk/1dgk.pr.out
profile	/app/data/saxs_computation/dg/1dgk/1dgk.dat