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1aut

Human activated protein C

Method: X-RAY DIFFRACTION D_max: 80.8 Å Quality: REASONABLE

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1aut
deposition_date	1996-06-08
title	Human activated protein C
keywords	SERINE PROTEINASE, PLASMA CALCIUM BINDING, GLYCOPROTEIN, HYDROLASE-HYDROLASE INHIBITOR complex, BLOOD CLOTTING; 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	23.08 Å
rg_electron	22.45 Å
i0	42486000.00
molecular_weight	36041.0 kDa
excluded_volume	36974 Å³
envelope_volume	60063 Å³
shell_volume	22820 Å³
envelope_diameter	82.8 Å
shell_rg	28.79 Å
envelope_rg	23.37 Å
shape_rg	22.53 Å
total_rg	22.93 Å
total_atoms	3256
n_residues	337
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	80.8 Å
rg_real	23.14 Å
rg_real_error	0.58 Å
i0_real	4.2490e+07
i0_real_error	5.7540e+05
rg_reciprocal	23.13 Å
i0_reciprocal	42490000.0000
total_estimate	0.6683
solution_quality	REASONABLE a REASONABLE solution
n_peaks	2
r_peak_primary	26.1 Å
skewness	0.441
kurtosis	-0.253
angular_range	— – 0.3450 Å⁻¹
current_alpha	0.0000
highest_alpha	6152000.0000
n_real_points	66
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.760; Stabil: 1.000; Sysdev: 0.171; Positv: 1.000; Valcen: 0.914; Smooth: 0.977

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	ACTIVATED PROTEIN C
formula_weight	28091.1 kDa
ec_number	3.4.21.69
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	C
atom_count	3694

LIDGKMTRRGDSPWQVVLLDSKKKLACGAVLIHPSWVLTAAHCMDESKKLLVRLGEYDLRRWEKWELDLDIKEVFVHPNYSKSTTDNDIALLHLAQPATLSQTIVPICLPDSGLAERELNQAGQETLVTGWGYHSSREKEAKRNRTFVLNFIKIPVVPHNECSEVMSNMVSENMLCAGILGDRQDACEGDSGGPMVASFHGTWFLVGLVSWGEGCGLLHNYGVYTKVSRYLDWIHGHIRDKEAPQKSWAP

Entity 2 polymer

description	ACTIVATED PROTEIN C
formula_weight	12730.6 kDa
ec_number	3.4.21.69
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	L

SKHVDGDQCLVLPLEHPCASLCCGHGTCIDGIGSFSCDCRSGWEGRFCQREVSFLNCSLDNGGCTHYCLEEVGWRRCSCAPGYKLGDDLLQCHPAVKFPCGRPWKRMEKKRSHL

Entity 3 non-polymer

description	D-phenylalanyl-N-[(2S,3S)-6-{[amino(iminio)methyl]amino}-1-chloro-2-hydroxyhexan-3-yl]-L-prolinamide
formula_weight	454.0 kDa
src_method	syn
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	146

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6. Citations (1)

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length_a	57.060 Å
length_b	89.600 Å
length_c	101.230 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	2.800 Å
resolution_low	8.000 Å
r_factor	—
r_work	0.1840
r_free	—

fit	/app/data/saxs_computation/au/1aut/1aut.fit
pddf	/app/data/pr_computation/au/1aut/1aut.pr.out
profile	/app/data/saxs_computation/au/1aut/1aut.dat

Human activated protein C

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 non-polymer

Entity 4 water

6. Citations (1)

7. Files & Curves (10)

Files (7)

Curves (3)