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1avg

THROMBIN INHIBITOR FROM TRIATOMA PALLIDIPENNIS

Method: X-RAY DIFFRACTION D_max: 84.0 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1avg
deposition_date	1997-09-16
title	THROMBIN INHIBITOR FROM TRIATOMA PALLIDIPENNIS
keywords	BOVINE THROMBIN, THROMBIN INHIBITOR, COMPLEX (BLOOD COAGULATION-INHIBITOR), COMPLEX (BLOOD COAGULATION-INHIBITOR) complex; COMPLEX (BLOOD COAGULATION/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	24.99 Å
rg_electron	23.97 Å
i0	43170600.00
molecular_weight	50536.0 kDa
excluded_volume	63082 Å³
envelope_volume	75615 Å³
shell_volume	26682 Å³
envelope_diameter	89.6 Å
shell_rg	30.88 Å
envelope_rg	24.25 Å
shape_rg	23.96 Å
total_rg	24.80 Å
total_atoms	3559
n_residues	442
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	84.0 Å
rg_real	25.03 Å
rg_real_error	0.67 Å
i0_real	4.3170e+07
i0_real_error	6.2740e+05
rg_reciprocal	25.02 Å
i0_reciprocal	43170000.0000
total_estimate	0.6054
solution_quality	REASONABLE a REASONABLE solution
n_peaks	3
r_peak_primary	26.7 Å
skewness	0.413
kurtosis	-0.316
angular_range	— – 0.3200 Å⁻¹
current_alpha	0.0000
highest_alpha	11500000.0000
n_real_points	64
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.797; Stabil: 0.994; Sysdev: 0.184; Positv: 1.000; Valcen: 0.942; Smooth: 0.000

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	THROMBIN
formula_weight	4792.3 kDa
ec_number	3.4.21.5
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	L
atom_count	3730

FFNEKTFGAGEADCGLRPLFEKKQVQDQTEKELFESYIEGR

Entity 2 polymer

description	THROMBIN
formula_weight	29772.4 kDa
ec_number	3.4.21.5
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	H

IVEGQDAEVGLSPWQVMLFRKSPQELLCGASLISDRWVLTAAHCLLYPPWDKNFTVDDLLVRIGKHSRTRYERKVEKISMLDKIYIHPRYNWKENLDRDIALLKLKRPIELSDYIHPVCLPDKQTAAKLLHAGFKGRVTGWGNRRETWTTSVAEVQPSVLQVVNLPLVERPVCKASTRIRITDNMFCAGYKPGEGKRGDACEGDSGGPFVMKSPYNNRWYQMGIVSWGEGCDRDGKYGFYTHVFRLKKWIQKVIDRLGS

Entity 3 polymer

description	TRIABIN
formula_weight	16039.6 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	I

AEGDDCSIEKAMGDFKPEEFFNGTWYLAHGPGVTSPAVCQKFTTSGSKGFTQIVEIGYNKFESNVKFQCNQVDNKNGEQYSFKCKSSDNTEFEADFTFISVSYDNFALVCRSITFTSQPKEDRYLVFERTKSDTDPDAKEIC

Source

organism	Triatoma pallidipennis
ncbi_taxonomy_id	30077
host_organism	INSECT CELLS

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	171

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6. Citations (1)

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length_a	44.840 Å
length_b	67.230 Å
length_c	183.490 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	4

space_group	P 21 21 21
int_tables_number	19
crystal_system	—

resolution	2.600 Å
resolution_low	10.000 Å
r_factor	0.1840
r_work	0.1840
r_free	0.2750

fit	/app/data/saxs_computation/av/1avg/1avg.fit
pddf	/app/data/pr_computation/av/1avg/1avg.pr.out
profile	/app/data/saxs_computation/av/1avg/1avg.dat

THROMBIN INHIBITOR FROM TRIATOMA PALLIDIPENNIS

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 (4)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Entity 3 polymer

Polymer

Source

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)