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1a5i

;CATALYTIC DOMAIN OF VAMPIRE BAT (DESMODUS ROTUNDUS) SALIVA PLASMINOGEN ACTIVATOR IN COMPLEX WITH EGR-CMK (GLU-GLY-ARG CHLOROMETHYL KETONE) ;

Method: X-RAY DIFFRACTION D_max: 59.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1a5i
deposition_date	1998-02-17
title	;CATALYTIC DOMAIN OF VAMPIRE BAT (DESMODUS ROTUNDUS) SALIVA PLASMINOGEN ACTIVATOR IN COMPLEX WITH EGR-CMK (GLU-GLY-ARG CHLOROMETHYL KETONE) ;
keywords	SERINE PROTEASE, FIBRINOLYTIC ENZYMES, PLASMINOGEN ACTIVATORS, 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	18.45 Å
rg_electron	17.49 Å
i0	30578600.00
molecular_weight	27976.0 kDa
excluded_volume	26787 Å³
envelope_volume	42839 Å³
shell_volume	19799 Å³
envelope_diameter	61.8 Å
shell_rg	24.47 Å
envelope_rg	17.91 Å
shape_rg	17.48 Å
total_rg	18.25 Å
total_atoms	2108
n_residues	265
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	59.0 Å
rg_real	18.32 Å
rg_real_error	0.20 Å
i0_real	3.0580e+07
i0_real_error	3.4480e+05
rg_reciprocal	18.34 Å
i0_reciprocal	30580000.0000
total_estimate	0.8854
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	23.4 Å
skewness	0.158
kurtosis	-0.359
angular_range	— – 0.4300 Å⁻¹
current_alpha	0.0000
highest_alpha	9444000.0000
n_real_points	74
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.841; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.996

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4. Crystallography & Experiment

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5. Entities & Polymer Info (3)

Entity 1 polymer

description	PLASMINOGEN ACTIVATOR
formula_weight	29716.6 kDa
ec_number	3.4.21.68
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	2141

TCGLRKYKEPQLHSTGGLFTDITSHPWQAAIFAQNRRSSGERFLCGGILISSCWVLTAAHCFQESYLPDQLKVVLGRTYRVKPGEEEQTFKVKKYIVHKEFDDDTYNNDIALLQLKSDSPQCAQESDSVRAICLPEANLQLPDWTECELSGYGKHKSSSPFYSEQLKEGHVRLYPSSRCAPKFLFNKTVTNNMLCAGDTRSGEIYPNVHDACQGDSGGPLVCMNDNHMTLLGIISWGVGCGEKDVPGVYTKVTNYLGWIRDNMHL

Source

organism	Desmodus rotundus
common_name	common vampire bat
ncbi_taxonomy_id	9430
host_organism	Mesocricetus auratus

Entity 2 non-polymer

description	L-alpha-glutamyl-N-{(1S)-4-{[amino(iminio)methyl]amino}-1-[(1S)-2-chloro-1-hydroxyethyl]butyl}glycinamide
formula_weight	395.9 kDa
src_method	syn
entity_count	1

Entity 3 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	33

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6. Citations (4)

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length_a	73.860 Å
length_b	73.860 Å
length_c	135.190 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	6

space_group	P 31 2 1
int_tables_number	152
crystal_system	—

resolution	2.900 Å
resolution_low	7.000 Å
r_factor	0.1980
r_work	0.1980
r_free	—

fit	/app/data/saxs_computation/a5/1a5i/1a5i.fit
pddf	/app/data/pr_computation/a5/1a5i/1a5i.pr.out
profile	/app/data/saxs_computation/a5/1a5i/1a5i.dat

;CATALYTIC DOMAIN OF VAMPIRE BAT (DESMODUS ROTUNDUS) SALIVA PLASMINOGEN ACTIVATOR IN COMPLEX WITH EGR-CMK (GLU-GLY-ARG CHLOROMETHYL KETONE) ;

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