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1dp5

THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT INHIBITOR

Method: X-RAY DIFFRACTION D_max: 66.0 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dp5
deposition_date	1999-12-23
title	THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT INHIBITOR
keywords	Proteinase A, MMM, IA3 mutant, 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	21.18 Å
rg_electron	19.79 Å
i0	27780400.00
molecular_weight	40749.0 kDa
excluded_volume	50983 Å³
envelope_volume	57707 Å³
shell_volume	23744 Å³
envelope_diameter	67.9 Å
shell_rg	26.94 Å
envelope_rg	19.96 Å
shape_rg	19.75 Å
total_rg	20.79 Å
total_atoms	2875
n_residues	360
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	66.0 Å
rg_real	21.04 Å
rg_real_error	0.31 Å
i0_real	2.7780e+07
i0_real_error	3.2300e+05
rg_reciprocal	21.07 Å
i0_reciprocal	27780000.0000
total_estimate	0.8904
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.2 Å
skewness	0.166
kurtosis	-0.386
angular_range	— – 0.3750 Å⁻¹
current_alpha	0.0000
highest_alpha	7460000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.892; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.990; Smooth: 0.904

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4. Crystallography & Experiment

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5. Entities & Polymer Info (4)

Entity 1 polymer

description	PROTEINASE A
formula_weight	35774.6 kDa
ec_number	3.4.23.25
src_method	nat
entity_count	1

Polymer

type	polypeptide(L)
strand_id	A
atom_count	3266

GGHDVPLTNYLNAQYYTDITLGTPPQNFKVILDTGSSNLWVPSNECGSLACFLHSKYDHEASSSYKANGTEFAIQYGTGSLEGYISQDTLSIGDLTIPKQDFAEATSEPGLTFAFGKFDGILGLGYDTISVDKVVPPFYNAIQQDLLDEKRFAFYLGDTSKDTENGGEATFGGIDESKFKGDITWLPVRRKAYWEVKFEGIGLGDEYAELESHGAAIDTGTSLITLPSGLAEMINAEIGAKKGWTGQYTLDCNTRDNLPDLIFNFNGYNFTIGPYDYTLEVSGSCISAITPMDFPEPVGPLAIVGDAFLRKYYSIYDLGNNAVGLAKAI

Entity 2 polymer

description	PROTEINASE INHIBITOR IA3
formula_weight	7726.5 kDa
mutation	K31M, K32M
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

MNTDQQKVSEIFQSSKEKLQGDAKVVSDAFMMMASQDKDGKTTDADESEKHNYQEQYNKLKGAGHKKE

Source

organism	Saccharomyces cerevisiae
common_name	;baker's yeast ;
ncbi_taxonomy_id	4932
host_organism	Escherichia coli

Entity 3 branched

description	;beta-D-mannopyranose-(1-2)-alpha-D-mannopyranose-(1-2)-[alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-3)-[beta-D-mannopyranose-(1-6)-alpha-D-mannopyranose-(1-6)]beta-D-mannopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose-(1-4)-2-acetamido-2-deoxy-beta-D-glucopyranose ;
formula_weight	1559.4 kDa
src_method	man
entity_count	1

Entity 4 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	391

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6. Citations (2)

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length_a	192.660 Å
length_b	192.660 Å
length_c	52.080 Å
angle_alpha	90.00 °
angle_beta	90.00 °
angle_gamma	120.00 °
z_pdb	12

space_group	P 62 2 2
int_tables_number	180
crystal_system	—

resolution	2.200 Å
resolution_low	30.000 Å
r_factor	—
r_work	0.1880
r_free	0.2350

fit	/app/data/saxs_computation/dp/1dp5/1dp5.fit
pddf	/app/data/pr_computation/dp/1dp5/1dp5.pr.out
profile	/app/data/saxs_computation/dp/1dp5/1dp5.dat

THE STRUCTURE OF PROTEINASE A COMPLEXED WITH A IA3 MUTANT INHIBITOR

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

Source

Entity 3 branched

Entity 4 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)