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1cvw

Crystal structure of active site-inhibited human coagulation factor VIIA (DES-GLA)

Method: X-RAY DIFFRACTION D_max: 63.6 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1cvw
deposition_date	1999-08-24
title	Crystal structure of active site-inhibited human coagulation factor VIIA (DES-GLA)
keywords	BLOOD COAGULATION, FACTOR VIIA, SERINE PROTEASE, 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	19.90 Å
rg_electron	18.88 Å
i0	40298300.00
molecular_weight	32309.0 kDa
excluded_volume	30943 Å³
envelope_volume	49479 Å³
shell_volume	21413 Å³
envelope_diameter	65.2 Å
shell_rg	25.94 Å
envelope_rg	19.33 Å
shape_rg	18.84 Å
total_rg	19.63 Å
total_atoms	2432
n_residues	309
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	63.6 Å
rg_real	19.77 Å
rg_real_error	0.30 Å
i0_real	4.0300e+07
i0_real_error	4.9430e+05
rg_reciprocal	19.79 Å
i0_reciprocal	40300000.0000
total_estimate	0.8943
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	25.1 Å
skewness	0.168
kurtosis	-0.429
angular_range	— – 0.4000 Å⁻¹
current_alpha	0.0000
highest_alpha	10440000.0000
n_real_points	72
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.878; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.989

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4. Crystallography & Experiment

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5. Entities & Polymer Info (5)

Entity 1 polymer

description	COAGULATION FACTOR VIIA (LIGHT CHAIN) (DES-GLA)
formula_weight	6030.8 kDa
ec_number	3.4.21.21
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	L
atom_count	2603

ICVNENGGCEQYCSDHTGTKRSCRCHEGYSLLADGVSCTPTVEYPCGKIPILEKR

Source

organism	Homo sapiens
common_name	human
ncbi_taxonomy_id	9606
host_organism	Cricetulus griseus

Entity 2 polymer

description	COAGULATION FACTOR VIIA (HEAVY CHAIN) (DES-GLA)
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	Cricetulus griseus

Entity 3 non-polymer

description	;N-{[5-(dimethylamino)naphthalen-1-yl]sulfonyl}-L-alpha-glutamyl-N-[(2S,3S)-6-carbamimidamido-1-chloro-2-hydroxyhexan-3-yl]glycinamide ;
formula_weight	628.1 kDa
src_method	syn
entity_count	1

Entity 4 non-polymer

description	CALCIUM ION
formula_weight	40.1 kDa
src_method	syn
entity_count	1

Entity 5 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	171

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6. Citations (2)

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length_a	94.850 Å
length_b	94.850 Å
length_c	114.300 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	90.00 °
z_pdb	8

space_group	P 41 21 2
int_tables_number	92
crystal_system	—

resolution	2.280 Å
resolution_low	30.000 Å
r_factor	0.2049
r_work	0.2049
r_free	0.2388

fit	/app/data/saxs_computation/cv/1cvw/1cvw.fit
pddf	/app/data/pr_computation/cv/1cvw/1cvw.pr.out
profile	/app/data/saxs_computation/cv/1cvw/1cvw.dat

Crystal structure of active site-inhibited human coagulation factor VIIA (DES-GLA)

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 (5)

Entity 1 polymer

Polymer

Source

Entity 2 polymer

Polymer

Source

Entity 3 non-polymer

Entity 4 non-polymer

Entity 5 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)