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1azx

ANTITHROMBIN/PENTASACCHARIDE COMPLEX

Method: X-RAY DIFFRACTION D_max: 116.2 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1azx
deposition_date	1997-11-23
title	ANTITHROMBIN/PENTASACCHARIDE COMPLEX
keywords	SERINE PROTEASE INHIBITOR, SERPIN, ANTITHROMBIN, ANTICOAGULANT ACTIVATION BY HEPARIN; SERINE PROTEASE INHIBITOR
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	34.66 Å
rg_electron	34.01 Å
i0	151717000.00
molecular_weight	98353.0 kDa
excluded_volume	122890 Å³
envelope_volume	155210 Å³
shell_volume	38788 Å³
envelope_diameter	123.3 Å
shell_rg	39.70 Å
envelope_rg	33.70 Å
shape_rg	33.95 Å
total_rg	34.63 Å
total_atoms	6881
n_residues	831
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	116.2 Å
rg_real	34.81 Å
rg_real_error	1.11 Å
i0_real	1.5170e+08
i0_real_error	2.5490e+06
rg_reciprocal	34.72 Å
i0_reciprocal	151700000.0000
total_estimate	0.8683
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	32.8 Å
skewness	0.447
kurtosis	-0.362
angular_range	— – 0.2300 Å⁻¹
current_alpha	0.0000
highest_alpha	32030000.0000
n_real_points	47
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.851; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.953; Smooth: 0.777

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	ANTITHROMBIN
formula_weight	49101.0 kDa
src_method	nat
entity_count	2

Polymer

type	polypeptide(L)
strand_id	I,L
atom_count	6881

HGSPVDICTAKPRDIPMNPMCIYRSPEKKATEDEGSEQKIPEATNRRVWELSKANSRFATTFYQHLADSKNDNDNIFLSPLSISTAFAMTKLGACNDTLQQLMEVFKFDTISEKTSDQIHFFFAKLNCRLYRKANKSSKLVSANRLFGDKSLTFNETYQDISELVYGAKLQPLDFKENAEQSRAAINKWVSNKTEGRITDVIPSEAINELTVLVLVNTIYFKGLWKSKFSPENTRKELFYKADGESCSASMMYQEGKFRYRRVAEGTQVLELPFKGDDITMVLILPKPEKSLAKVEKELTPEVLQEWLDELEEMMLVVHMPRFRIEDGFSLKEQLQDMGLVDLFSPEKSKLPGIVAEGRDDLYVSDAFHKAFLEVNEEGSEAAASTAVVIAGRSLNPNRVTFKANRPFLVFIREVPLNTIIFMGRVANPCVK

Entity 2 branched

description	;3,4-di-O-methyl-2,6-di-O-sulfo-alpha-D-glucopyranose-(1-4)-2,3-di-O-methyl-beta-D-glucopyranuronic acid-(1-4)-2,3,6-tri-O-sulfo-alpha-D-glucopyranose-(1-4)-3-O-methyl-2-O-sulfo-alpha-L-idopyranuronic acid-(1-4)-methyl 2,3,6-tri-O-sulfo-alpha-D-glucopyranoside ;
formula_weight	1661.4 kDa
src_method	man
entity_count	2

Entity 3 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	man
entity_count	3

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6. Citations (1)

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length_a	70.440 Å
length_b	86.970 Å
length_c	97.220 Å
angle_alpha	90.00 °
angle_beta	108.88 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 1 21 1
int_tables_number	4
crystal_system	—

resolution	2.900 Å
resolution_low	30.000 Å
r_factor	0.2030
r_work	0.1950
r_free	0.2800

fit	/app/data/saxs_computation/az/1azx/1azx.fit
pddf	/app/data/pr_computation/az/1azx/1azx.pr.out
profile	/app/data/saxs_computation/az/1azx/1azx.dat

ANTITHROMBIN/PENTASACCHARIDE COMPLEX

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 branched

Entity 3 non-polymer

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)