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1dpj

THE STRUCTURE OF PROTEINASE A COMPLEXED WITH IA3 PEPTIDE INHIBITOR

Method: X-RAY DIFFRACTION D_max: 67.8 Å Quality: GOOD

SAXS Profile

P(r) Distribution

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1. Structure Basics

entry_id	1dpj
deposition_date	1999-12-27
title	THE STRUCTURE OF PROTEINASE A COMPLEXED WITH IA3 PEPTIDE INHIBITOR
keywords	proteinase A, IA3 peptide, 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	21.33 Å
rg_electron	19.87 Å
i0	28779000.00
molecular_weight	40915.0 kDa
excluded_volume	50938 Å³
envelope_volume	58204 Å³
shell_volume	23862 Å³
envelope_diameter	68.1 Å
shell_rg	27.09 Å
envelope_rg	20.03 Å
shape_rg	19.83 Å
total_rg	20.90 Å
total_atoms	2881
n_residues	358
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	67.8 Å
rg_real	21.19 Å
rg_real_error	0.28 Å
i0_real	2.8780e+07
i0_real_error	3.5430e+05
rg_reciprocal	21.22 Å
i0_reciprocal	28780000.0000
total_estimate	0.8920
solution_quality	GOOD a GOOD solution
n_peaks	2
r_peak_primary	27.9 Å
skewness	0.171
kurtosis	-0.378
angular_range	— – 0.3750 Å⁻¹
current_alpha	0.0000
highest_alpha	7715000.0000
n_real_points	69
gnom_version	4.1.3
quality_criteria	AN1: 0.000; Oscil: 0.867; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.994; Smooth: 0.998

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4. Crystallography & Experiment

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5. Entities & Polymer Info (6)

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	3268

GGHDVPLTNYLNAQYYTDITLGTPPQNFKVILDTGSSNLWVPSNECGSLACFLHSKYDHEASSSYKANGTEFAIQYGTGSLEGYISQDTLSIGDLTIPKQDFAEATSEPGLTFAFGKFDGILGLGYDTISVDKVVPPFYNAIQQDLLDEKRFAFYLGDTSKDTENGGEATFGGIDESKFKGDITWLPVRRKAYWEVKFEGIGLGDEYAELESHGAAIDTGTSLITLPSGLAEMINAEIGAKKGWTGQYTLDCNTRDNLPDLIFNFNGYNFTIGPYDYTLEVSGSCISAITPMDFPEPVGPLAIVGDAFLRKYYSIYDLGNNAVGLAKAI

Entity 2 polymer

description	PROTEINASE INHIBITOR IA3 PEPTIDE
formula_weight	3692.2 kDa
src_method	man
entity_count	1

Polymer

type	polypeptide(L)
strand_id	B

NTDQQKVSEIFQSSKEKLQGDAKVVSDAFKKMA

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-(1-2)-alpha-D-mannopyranose-(1-6)]alpha-D-mannopyranose-(1-3)-[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 non-polymer

description	2-acetamido-2-deoxy-beta-D-glucopyranose
formula_weight	221.2 kDa
src_method	man
entity_count	1

Entity 5 non-polymer

description	SULFATE ION
formula_weight	96.1 kDa
src_method	syn
entity_count	4

Entity 6 water

description	water
formula_weight	18.0 kDa
src_method	nat
entity_count	372

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6. Citations (2)

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length_a	191.660 Å
length_b	191.660 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	1.800 Å
resolution_low	30.000 Å
r_factor	—
r_work	0.1920
r_free	0.2130

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

THE STRUCTURE OF PROTEINASE A COMPLEXED WITH IA3 PEPTIDE 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 (6)

Entity 1 polymer

Polymer

Entity 2 polymer

Polymer

Source

Entity 3 branched

Entity 4 non-polymer

Entity 5 non-polymer

Entity 6 water

6. Citations (2)

7. Files & Curves (10)

Files (7)

Curves (3)