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1e1y

Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site

Method: X-RAY DIFFRACTION D_max: 95.3 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1e1y
deposition_date	2000-05-11
title	Flavopiridol inhibits glycogen phosphorylase by binding at the inhibitor site
keywords	ALLOSTERIC INHIBITION, 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	28.55 Å
rg_electron	27.49 Å
i0	141936000.00
molecular_weight	94710.0 kDa
excluded_volume	118710 Å³
envelope_volume	140190 Å³
shell_volume	40713 Å³
envelope_diameter	99.1 Å
shell_rg	36.33 Å
envelope_rg	28.04 Å
shape_rg	27.49 Å
total_rg	28.31 Å
total_atoms	6676
n_residues	813
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	95.3 Å
rg_real	28.44 Å
rg_real_error	0.49 Å
i0_real	1.4190e+08
i0_real_error	2.1420e+06
rg_reciprocal	28.49 Å
i0_reciprocal	141900000.0000
total_estimate	0.8800
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	34.0 Å
skewness	0.237
kurtosis	-0.385
angular_range	— – 0.2800 Å⁻¹
current_alpha	0.0000
highest_alpha	41920000.0000
n_real_points	57
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.821; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 1.000; Smooth: 0.973

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

Entity 1 polymer

description	GLYCOGEN PHOSPHORYLASE, MUSCLE FORM
formula_weight	97291.2 kDa
ec_number	2.4.1.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	7320

SRPLSDQEKRKQISVRGLAGVENVTELKKNFNRHLHFTLVKDRNVATPRDYYFALAHTVRDHLVGRWIRTQQHYYEKDPKRIYYLSLEFYMGRTLQNTMVNLALENACDEATYQLGLDMEELEEIEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRYEFGIFNQKICGGWQMEEADDWLRYGNPWEKARPEFTLPVHFYGRVEHTSQGAKWVDTQVVLAMPYDTPVPGYRNNVVNTMRLWSAKAPNDFNLKDFNVGGYIQAVLDRNLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKSSKFGCRDPVRTNFDAFPDKVAIQLNDTHPSLAIPELMRVLVDLERLDWDKAWEVTVKTCAYTNHTVLPEALERWPVHLLETLLPRHLQIIYEINQRFLNRVAAAFPGDVDRLRRMSLVEEGAVKRINMAHLCIAGSHAVNGVARIHSEILKKTIFKDFYELEPHKFQNKTNGITPRRWLVLCNPGLAEIIAERIGEEYISDLDQLRKLLSYVDDEAFIRDVAKVKQENKLKFAAYLEREYKVHINPNSLFDVQVKRIHEYKRQLLNCLHVITLYNRIKKEPNKFVVPRTVMIGGKAAPGYHMAKMIIKLITAIGDVVNHDPVVGDRLRVIFLENYRVSLAEKVIPAADLSEQISTAGTEASGTGNMKFMLNGALTIGTMDGANVEMAEEAGEENFFIFGMRVEDVDRLDQRGYNAQEYYDRIPELRQIIEQLSSGFFSPKQPDLFKDIVNMLMHHDRFKVFADYEEYVKCQERVSALYKNPREWTRMVIRNIATSGKFSSDRTIAQYAREIWGVEPSRQRLPAPDEKIP

Entity 2 non-polymer

description	2-(2-CHLORO-PHENYL)-5,7-DIHYDROXY-8-(3-HYDROXY-1-METHYL-PIPERIDIN-4-YL)-4H-BENZOPYRAN-4-ONE
formula_weight	401.8 kDa
src_method	syn
entity_count	1

Entity 3 non-polymer

description	PHOSPHITE ION
formula_weight	79.0 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

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

Entity 5 non-polymer

description	PYRIDOXAL-5'-PHOSPHATE
formula_weight	247.1 kDa
src_method	syn
entity_count	1

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	644

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6. Citations (3)

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length_a	126.759 Å
length_b	126.759 Å
length_c	116.018 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 43 21 2
int_tables_number	96
crystal_system	—

resolution	2.230 Å
resolution_low	29.900 Å
r_factor	0.1950
r_work	0.1950
r_free	0.2520

fit	/app/data/saxs_computation/e1/1e1y/1e1y.fit
pddf	/app/data/pr_computation/e1/1e1y/1e1y.pr.out
profile	/app/data/saxs_computation/e1/1e1y/1e1y.dat