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1a8i

SPIROHYDANTOIN INHIBITOR OF GLYCOGEN PHOSPHORYLASE

Method: X-RAY DIFFRACTION D_max: 89.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a8i
deposition_date	1998-03-25
title	SPIROHYDANTOIN INHIBITOR OF GLYCOGEN PHOSPHORYLASE
keywords	GLYCOGEN PHOSPHORYLASE, GLUCOPYRANOSE SPIROHYDANTOIN, WATER STRUCTURE, INHIBITOR BINDING, ANTI-HYPERGLYCEMIC AGENT; GLYCOGEN PHOSPHORYLASE
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	28.35 Å
rg_electron	27.32 Å
i0	141033000.00
molecular_weight	94433.0 kDa
excluded_volume	118440 Å³
envelope_volume	138830 Å³
shell_volume	40590 Å³
envelope_diameter	96.9 Å
shell_rg	36.19 Å
envelope_rg	27.65 Å
shape_rg	27.33 Å
total_rg	28.13 Å
total_atoms	6659
n_residues	812
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	89.6 Å
rg_real	28.19 Å
rg_real_error	0.45 Å
i0_real	1.4100e+08
i0_real_error	1.7620e+06
rg_reciprocal	28.24 Å
i0_reciprocal	141000000.0000
total_estimate	0.8987
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	33.6 Å
skewness	0.203
kurtosis	-0.472
angular_range	— – 0.2800 Å⁻¹
current_alpha	0.0000
highest_alpha	41960000.0000
n_real_points	57
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.899; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.995; Smooth: 0.988

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	GLYCOGEN PHOSPHORYLASE B
formula_weight	97519.3 kDa
ec_number	2.4.1.1
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	7454

SRPLSDQEKRKQISVRGLAGVENVTELKKNFNRHLHFTLVKDRNVATPRDYYFALAHTVRDHLVGRWIRTQQHYYEKDPKRIYYLSLEFYMGRTLQNTMVNLALENACDEATYQLGLDMEELEEIEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRYEFGIFNQKICGGWQMEEADDWLRYGNPWEKARPEFTLPVHFYGRVEHTSQGAKWVDTQVVLAMPYDTPVPGYRNNVVNTMRLWSAKAPNDFNLKDFNVGGYIQAVLDRNLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKSSKFGCRDPVRTNFDAFPDKVAIQLNDTHPSLAIPELMRVLVDLERLDWDKAWEVTVKTCAYTNHTVIPEALERWPVHLLETLLPRHLQIIYEINQRFLNRVAAAFPGDVDRLRRMSLVEEGAVKRINMAHLCIAGSHAVNGVARIHSEILKKTIFKDFYELEPHKFQNKTNGITPRRWLVLCNPGLAEIIAERIGEEYISDLDQLRKLLSYVDDEAFIRDVAKVKQENKLKFAAYLEREYKVHINPNSLFDVQVKRIHEYKRQLLNCLHVITLYNRIKKEPNKFVVPRTVMIGGKAAPGYHMAKMIIKLITAIGDVVNHDPVVGDRLRVIFLENYRVSLAEKVIPAADLSEQISTAGTEASGTGNMKFMLNGALTIGTMDGANVEMAEEAGEENFFIFGMRVEDVDRLDQRGYNAQEYYDRIPELRQIIEQLSSGFFSPKQPDLFKDIVNMLMHHDRFKVFADYEEYVKCQERVSALYKNPREWTRMVIRNIATSGKFSSDRTIAQYAREIWGVEPSRQRLPAPDEKIP

Entity 2 non-polymer

description	BETA-D-GLUCOPYRANOSE SPIROHYDANTOIN
formula_weight	248.2 kDa
src_method	man
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	795

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6. Citations (6)

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length_a	127.470 Å
length_b	127.470 Å
length_c	115.800 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	1.780 Å
resolution_low	19.900 Å
r_factor	—
r_work	0.1820
r_free	0.2290

fit	/app/data/saxs_computation/a8/1a8i/1a8i.fit
pddf	/app/data/pr_computation/a8/1a8i/1a8i.pr.out
profile	/app/data/saxs_computation/a8/1a8i/1a8i.dat

SPIROHYDANTOIN INHIBITOR OF GLYCOGEN PHOSPHORYLASE

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

5. Entities & Polymer Info (3)

Entity 1 polymer

Polymer

Entity 2 non-polymer

Entity 3 water

6. Citations (6)

7. Files & Curves (10)

Files (7)

Curves (3)