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1bx4

STRUCTURE OF HUMAN ADENOSINE KINASE AT 1.50 ANGSTROMS

Method: X-RAY DIFFRACTION D_max: 63.4 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1bx4
deposition_date	1998-10-13
title	STRUCTURE OF HUMAN ADENOSINE KINASE AT 1.50 ANGSTROMS
keywords	HUMAN ADENOSINE 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	20.45 Å
rg_electron	19.39 Å
i0	25988100.00
molecular_weight	38991.0 kDa
excluded_volume	48793 Å³
envelope_volume	56973 Å³
shell_volume	23611 Å³
envelope_diameter	65.4 Å
shell_rg	26.70 Å
envelope_rg	19.71 Å
shape_rg	19.37 Å
total_rg	20.41 Å
total_atoms	2739
n_residues	342
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	63.4 Å
rg_real	20.30 Å
rg_real_error	0.25 Å
i0_real	2.5990e+07
i0_real_error	2.7860e+05
rg_reciprocal	20.33 Å
i0_reciprocal	25990000.0000
total_estimate	0.8959
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.1 Å
skewness	0.105
kurtosis	-0.446
angular_range	— – 0.3900 Å⁻¹
current_alpha	0.0000
highest_alpha	7864000.0000
n_real_points	71
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.893; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.977; Smooth: 0.988

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PROTEIN (ADENOSINE KINASE)
formula_weight	38755.2 kDa
ec_number	2.7.1.20
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3093

MTSVRENILFGMGNPLLDISAVVDKDFLDKYSLKPNDQILAEDKHKELFDELVKKFKVEYHAGGSTQNSIKVAQWMIQQPHKAATFFGCIGIDKFGEILKRKAAEAHVDAHYYEQNEQPTGTCAACITGDNRSLIANLAAANCYKKEKHLDLEKNWMLVEKARVCYIAGFFLTVSPESVLKVAHHASENNRIFTLNLSAPFISQFYKESLMKVMPYVDILFGNETEAATFAREQGFETKDIKEIAKKTQALPKMNSKRQRIVIFTQGRDDTIMATESEVTAFAVLDQDQKEIIDTNGAGDAFVGGFLSQLVSDKPLTECIRAGHYAASIIIRRTGCTFPEKPDFH

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 2 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	2

Entity 3 non-polymer

description	MAGNESIUM ION
formula_weight	24.3 kDa
src_method	syn
entity_count	3

Entity 4 non-polymer

description	ADENOSINE
formula_weight	267.2 kDa
src_method	syn
entity_count	2

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	354

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6. Citations (1)

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length_a	65.300 Å
length_b	111.080 Å
length_c	49.690 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	1.500 Å
resolution_low	20.000 Å
r_factor	0.1920
r_work	0.1920
r_free	0.2260

fit	/app/data/saxs_computation/bx/1bx4/1bx4.fit
pddf	/app/data/pr_computation/bx/1bx4/1bx4.pr.out
profile	/app/data/saxs_computation/bx/1bx4/1bx4.dat