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1em6

HUMAN LIVER GLYCOGEN PHOSPHORYLASE A COMPLEXED WITH GLCNAC AND CP-526,423

Method: X-RAY DIFFRACTION D_max: 125.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1em6
deposition_date	2000-03-16
title	HUMAN LIVER GLYCOGEN PHOSPHORYLASE A COMPLEXED WITH GLCNAC AND CP-526,423
keywords	allosteric site, allosteric binding, 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	37.92 Å
rg_electron	37.59 Å
i0	472288000.00
molecular_weight	182450.0 kDa
excluded_volume	230230 Å³
envelope_volume	273750 Å³
shell_volume	59365 Å³
envelope_diameter	126.0 Å
shell_rg	44.56 Å
envelope_rg	37.58 Å
shape_rg	37.55 Å
total_rg	38.12 Å
total_atoms	12862
n_residues	1574
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	125.3 Å
rg_real	37.91 Å
rg_real_error	1.19 Å
i0_real	4.7230e+08
i0_real_error	8.7600e+06
rg_reciprocal	37.92 Å
i0_reciprocal	472300000.0000
total_estimate	0.8912
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	41.8 Å
skewness	0.318
kurtosis	-0.496
angular_range	— – 0.2100 Å⁻¹
current_alpha	0.0000
highest_alpha	222600000.0000
n_real_points	43
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.883; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.932

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	LIVER GLYCOGEN PHOSPHORYLASE
formula_weight	97276.5 kDa
ec_number	2.4.1.1
src_method	man
entity_count	2

Polymer

type	polypeptide(L)
strand_id	A,B
atom_count	13599

MAKPLTDQEKRRQISIRGIVGVENVAELKKSFNRHLHFTLVKDRNVATTRDYYFALAHTVRDHLVGRWIRTQQHYYDKCPKRVYYLSLEFYMGRTLQNTMINLGLQNACDEAIYQLGLDIEELEEIEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRYEYGIFNQKIRDGWQVEEADDWLRYGNPWEKSRPEFMLPVHFYGKVEHTNTGTKWIDTQVVLALPYDTPVPGYMNNTVNTMRLWSARAPNDFNLRDFNVGDYIQAVLDRNLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKASKFGSTRGAGTVFDAFPDQVAIQLNDTHPALAIPELMRIFVDIEKLPWSKAWELTQKTFAYTNHTVLPEALERWPVDLVEKLLPRHLEIIYEINQKHLDRIVALFPKDVDRLRRMSLIEEEGSKRINMAHLCIVGSHAVNGVAKIHSDIVKTKVFKDFSELEPDKFQNKTNGITPRRWLLLCNPGLAELIAEKIGEDYVKDLSQLTKLHSFLGDDVFLRELAKVKQENKLKFSQFLETEYKVKINPSSMFDVQVKRIHEYKRQLLNCLHVITMYNRIKKDPKKLFVPRTVIIGGKAAPGYHMAKMIIKLITSVADVVNNDPMVGSKLKVIFLENYRVSLAEKVIPATDLSEQISTAGTEASGTGNMKFMLNGALTIGTMDGANVEMAEEAGEENLFIFGMRIDDVAALDKKGYEAKEYYEALPELKLVIDQIDNGFFSPKQPDLFKDIINMLFYHDRFKVFADYEAYVKCQDKVSQLYMNPKAWNTMVLKNIAASGKFSSDRTIKEYAQNIWNVEPSDLKISLSNESNKVNGN

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Spodoptera frugiperda

Entity 2 non-polymer

description	N-acetyl-beta-D-glucopyranosylamine
formula_weight	221.2 kDa
src_method	man
entity_count	2

Entity 3 non-polymer

description	BIS[5-CHLORO-1H-INDOL-2-YL-CARBONYL-AMINOETHYL]-ETHYLENE GLYCOL
formula_weight	503.4 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	PYRIDOXAL-5'-PHOSPHATE
formula_weight	247.1 kDa
src_method	syn
entity_count	2

Entity 5 non-polymer

description	(4S)-2-METHYL-2,4-PENTANEDIOL
formula_weight	118.2 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	737

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6. Citations (1)

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length_a	123.314 Å
length_b	123.314 Å
length_c	122.319 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31
int_tables_number	144
crystal_system	—

resolution	2.200 Å
resolution_low	99.000 Å
r_factor	0.2340
r_work	0.2330
r_free	0.2640

fit	/app/data/saxs_computation/em/1em6/1em6.fit
pddf	/app/data/pr_computation/em/1em6/1em6.pr.out
profile	/app/data/saxs_computation/em/1em6/1em6.dat