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1dan

Complex of active site inhibited human blood coagulation factor VIIA with human recombinant soluble tissue factor

Method: X-RAY DIFFRACTION D_max: 115.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dan
deposition_date	1997-03-05
title	Complex of active site inhibited human blood coagulation factor VIIA with human recombinant soluble tissue factor
keywords	BLOOD COAGULATION, SERINE PROTEASE, CO-FACTOR, RECEPTOR ENZYME, GLA, EGF, HYDROLASE-HYDROLASE INHIBITOR COMPLEX; HYDROLASE/HYDROLASE 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	32.58 Å
rg_electron	32.95 Å
i0	142671000.00
molecular_weight	63122.0 kDa
excluded_volume	60664 Å³
envelope_volume	107680 Å³
shell_volume	29715 Å³
envelope_diameter	125.3 Å
shell_rg	36.05 Å
envelope_rg	33.33 Å
shape_rg	32.86 Å
total_rg	33.30 Å
total_atoms	4732
n_residues	577
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	115.8 Å
rg_real	33.13 Å
rg_real_error	1.14 Å
i0_real	1.4270e+08
i0_real_error	2.6730e+06
rg_reciprocal	32.90 Å
i0_reciprocal	142600000.0000
total_estimate	0.7809
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	28.4 Å
skewness	0.638
kurtosis	-0.236
angular_range	— – 0.2450 Å⁻¹
current_alpha	0.0000
highest_alpha	11590000.0000
n_real_points	50
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.591; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.543; Smooth: 0.832

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4. Crystallography & Experiment

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5. Entities & Polymer Info (11)

Entity 1 polymer

description	BLOOD COAGULATION FACTOR VIIA light chain
formula_weight	17487.1 kDa
ec_number	3.4.21.21
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	L
atom_count	4971

ANAFLEELRPGSLERECKEEQCSFEEAREIFKDAERTKLFWISYSDGDQCASSPCQNGGSCKDQLQSYICFCLPAFEGRNCETHKDDQLICVNENGGCEQYCSDHTGTKRSCRCHEGYSLLADGVSCTPTVEYPCGKIPILEKRNASKPQGR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Mesocricetus auratus

Entity 2 polymer

description	BLOOD COAGULATION FACTOR VIIA heavy chain
formula_weight	28103.3 kDa
ec_number	3.4.21.21
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	H

IVGGKVCPKGECPWQVLLLVNGAQLCGGTLINTIWVVSAAHCFDKIKNWRNLIAVLGEHDLSEHDGDEQSRRVAQVIIPSTYVPGTTNHDIALLRLHQPVVLTDHVVPLCLPERTFSERTLAFVRFSLVSGWGQLLDRGATALELMVLNVPRLMTQDCLQQSRKVGDSPNITEYMFCAGYSDGSKDSCKGDSGGPHATHYRGTWYLTGIVSWGQGCATVGHFGVYTRVSQYIEWLQKLMRSEPRPGVLLRAPFP

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Mesocricetus auratus

Entity 3 polymer

description	SOLUBLE TISSUE FACTOR
formula_weight	9229.3 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	T

NTVAAYNLTWKSTNFKTILEWEPKPVNQVYTVQISTKSGDWKSKCFYTTDTECDLTDEIVKDVKQTYLARVFSYPAGNVE

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 4 polymer

description	SOLUBLE TISSUE FACTOR
formula_weight	13802.4 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	U

GEPLYENSPEFTPYLETNLGQPTIQSFEQVGTKVNVTVEDERTLVRRNNTFLSLRDVFGKDLIYTLYYWKSSSSGKKTAKTNTNEFLIDVDKGENYCFSVQAVIPSRTVNRKSTDSPVECM

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Escherichia coli

Entity 5 non-polymer

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

Entity 6 non-polymer

description	alpha-L-fucopyranose
formula_weight	164.2 kDa
src_method	man
entity_count	1

Entity 7 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	9

Entity 8 non-polymer

description	D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-phenylalaninamide
formula_weight	504.0 kDa
src_method	syn
entity_count	1

Entity 9 non-polymer

description	CACODYLATE ION
formula_weight	137.0 kDa
src_method	syn
entity_count	1

Entity 10 non-polymer

description	CHLORIDE ION
formula_weight	35.5 kDa
src_method	syn
entity_count	1

Entity 11 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	239

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6. Citations (1)

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length_a	70.650 Å
length_b	82.550 Å
length_c	126.500 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	2.000 Å
resolution_low	20.000 Å
r_factor	0.1870
r_work	0.1870
r_free	0.2180

fit	/app/data/saxs_computation/da/1dan/1dan.fit
pddf	/app/data/pr_computation/da/1dan/1dan.pr.out
profile	/app/data/saxs_computation/da/1dan/1dan.dat

Complex of active site inhibited human blood coagulation factor VIIA with human recombinant soluble tissue factor

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

5. Entities & Polymer Info (11)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 polymer

Polymer

Source

Entity 4 polymer

Polymer

Source

Entity 5 non-polymer

Entity 6 non-polymer

Entity 7 non-polymer

Entity 8 non-polymer

Entity 9 non-polymer

Entity 10 non-polymer

Entity 11 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)