SAXSdb — 1b4d

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1. Structure Basics

entry_id	1b4d
deposition_date	1998-12-18
title	AMIDOCARBAMATE INHIBITOR OF GLYCOGEN PHOSPHORYLASE
keywords	GLYCOGEN PHOSPHORYLASE, INHIBITOR BINDING, AMIDOCARBAMATE, 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	28.14 Å
rg_electron	27.10 Å
i0	138769000.00
molecular_weight	93610.0 kDa
excluded_volume	117330 Å³
envelope_volume	136110 Å³
shell_volume	40107 Å³
envelope_diameter	96.3 Å
shell_rg	35.99 Å
envelope_rg	27.45 Å
shape_rg	27.11 Å
total_rg	27.90 Å
total_atoms	6599
n_residues	804
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	88.6 Å
rg_real	27.97 Å
rg_real_error	0.45 Å
i0_real	1.3880e+08
i0_real_error	1.9440e+06
rg_reciprocal	28.03 Å
i0_reciprocal	138800000.0000
total_estimate	0.8972
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	34.8 Å
skewness	0.203
kurtosis	-0.470
angular_range	— – 0.2800 Å⁻¹
current_alpha	0.0000
highest_alpha	37530000.0000
n_real_points	57
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.903; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.957

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	PROTEIN (GLYCOGEN PHOSPHORYLASE B)
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	7419

SRPLSDQEKRKQISVRGLAGVENVTELKKNFNRHLHFTLVKDRNVATPRDYYFALAHTVRDHLVGRWIRTQQHYYEKDPKRIYYLSLEFYMGRTLQNTMVNLALENACDEATYQLGLDMEELEEIEEDAGLGNGGLGRLAACFLDSMATLGLAAYGYGIRYEFGIFNQKICGGWQMEEADDWLRYGNPWEKARPEFTLPVHFYGRVEHTSQGAKWVDTQVVLAMPYDTPVPGYRNNVVNTMRLWSAKAPNDFNLKDFNVGGYIQAVLDRNLAENISRVLYPNDNFFEGKELRLKQEYFVVAATLQDIIRRFKSSKFGCRDPVRTNFDAFPDKVAIQLNDTHPSLAIPELMRVLVDLERLDWDKAWEVTVKTCAYTNHTVIPEALERWPVHLLETLLPRHLQIIYEINQRFLNRVAAAFPGDVDRLRRMSLVEEGAVKRINMAHLCIAGSHAVNGVARIHSEILKKTIFKDFYELEPHKFQNKTNGITPRRWLVLCNPGLAEIIAERIGEEYISDLDQLRKLLSYVDDEAFIRDVAKVKQENKLKFAAYLEREYKVHINPNSLFDVQVKRIHEYKRQLLNCLHVITLYNRIKKEPNKFVVPRTVMIGGKAAPGYHMAKMIIKLITAIGDVVNHDPVVGDRLRVIFLENYRVSLAEKVIPAADLSEQISTAGTEASGTGNMKFMLNGALTIGTMDGANVEMAEEAGEENFFIFGMRVEDVDRLDQRGYNAQEYYDRIPELRQIIEQLSSGFFSPKQPDLFKDIVNMLMHHDRFKVFADYEEYVKCQERVSALYKNPREWTRMVIRNIATSGKFSSDRTIAQYAREIWGVEPSRQRLPAPDEKIP

Entity 2 non-polymer

description	1-DEOXY-1-METHOXYCARBAMIDO-BETA-D-GLUCO-2-HEPTULOPYRANOSONAMIDE
formula_weight	280.2 kDa
src_method	man
entity_count	1

Entity 3 non-polymer

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

Entity 4 non-polymer

description	INOSINIC ACID
formula_weight	348.2 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	820

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6. Citations (4)

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length_a	126.680 Å
length_b	126.680 Å
length_c	115.350 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	2.000 Å
resolution_low	20.000 Å
r_factor	0.1820
r_work	0.1820
r_free	0.2290

fit	/app/data/saxs_computation/b4/1b4d/1b4d.fit
pddf	/app/data/pr_computation/b4/1b4d/1b4d.pr.out
profile	/app/data/saxs_computation/b4/1b4d/1b4d.dat

AMIDOCARBAMATE 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