1aun

PATHOGENESIS-RELATED PROTEIN 5D FROM NICOTIANA TABACUM

Method: X-RAY DIFFRACTION D_max: 54.6 Å Quality: EXCELLENT

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1. Protein Identity and Related Structures Protein Identity & Related Structures

PR-5D

OrganismNot specified

State in the Current Structure

Assembly	Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Associated Components	Method and Experimental Conditions	Structure Quality
1	Protein monomer Monomer Protein × 1 PDB declaration: monomeric（1） Consistent with protein copy count	Chain A； UniProt 22–229	Not recorded	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：pH 7.5；PROTEIN WAS CRYSTALLIZED FROM 0.7 M MGCL2, 10% GLYCEROL, 50 MM HEPES, PH 7.5	Resolution 1.80 Å R-free 0.219

Other States of the Same Protein in the Database

Each row is a biological assembly of the same UniProt protein in another PDB entry. The “Difference from current entry” column identifies evidence-level differences; no tag means the currently parsed fields agree.

No other PDB entry for the same UniProt protein was found.

View Construct and Data Evidence

UniProt name	OLPA_TOBAC
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–208； UniProt 22–229

The page prioritizes protein identity, the current assembly, associated components, oligomeric state and cross-PDB links. Chain mapping and sequence ranges are retained as data evidence. Internal IDs, import timestamps and assembly operation expressions are maintenance fields and are not shown here.

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

Download Download SAXS (.dat) P(r) (.pr.out) CIF

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	1aun
Deposition date deposition_date	1997-08-29
Structure title title	PATHOGENESIS-RELATED PROTEIN 5D FROM NICOTIANA TABACUM
Keywords keywords	ANTIFUNGAL PROTEIN, PATHOGENESIS-RELATED PROTEIN, PR-5D, OSMOTIN, THAUMATIN-LIKE PROTEIN; ANTIFUNGAL PROTEIN
Experimental Method method	X-RAY DIFFRACTION

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3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

Radius of gyration Rg (Guinier) rg_guinier	17.46 Å
Radius of gyration Rg (electron density) rg_electron	16.46 Å
Forward intensity I(0) i0	10389500.00
Molecular weight molecular_weight	22762.0 kDa
Excluded volume excluded_volume	27867 Å³
Envelope volume envelope_volume	31168 Å³
Hydration-shell volume shell_volume	15892 Å³
Envelope diameter envelope_diameter	54.9 Å
Shell Rg shell_rg	22.52 Å
Envelope Rg envelope_rg	16.76 Å
Shape Rg shape_rg	16.46 Å
Total Rg total_rg	17.38 Å
Total atoms total_atoms	1596
Residues n_residues	208
Spherical-harmonic order n_harmonics	20
q range q_range	— – 0.5000 Å⁻¹
Data points n_points	101
Shell type shell_type	directional
Solvent electron density solvent_density	0.3340 e/Å³
Shell contrast contrast_shell	0.0300 e/Å³
CRYSOL version crysol_version	4.1.3

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4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

Maximum dimension Dmax dmax	54.6 Å
Rg (real space) rg_real	17.34 Å
Rg uncertainty (real space) rg_real_error	0.26 Å
I(0) (real space) i0_real	1.0390e+07
I(0) uncertainty (real space) i0_real_error	1.2050e+05
Rg (reciprocal space) rg_reciprocal	17.36 Å
I(0) (reciprocal space) i0_reciprocal	10390000.0000
Solution quality estimate total_estimate	0.9057
Solution quality rating solution_quality	EXCELLENT a EXCELLENT solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	21.8 Å
Skewness Skewness skewness	0.115
Kurtosis Kurtosis kurtosis	-0.520
Angular range angular_range	— – 0.4550 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	1845000.0000
Real-space data points n_real_points	76
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.924; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.998; Smooth: 0.999

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (2)

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d1auna_
Class class	b — All beta proteins
Fold Fold fold	b.25 — Osmotin, thaumatin-like protein
Superfamily Superfamily superfamily	b.25.1 — Osmotin, thaumatin-like protein
Family Family family	b.25.1.1 — Osmotin, thaumatin-like protein

CATH v4.4 (1 domains)

Domain ID domain_id	1aunA00
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	110 — Thaumatin
Homologous superfamily homologous superfamily	10 — Thaumatin

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8. Citations (2)

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Unit-cell length a length_a	80.140 Å
Unit-cell length b length_b	63.690 Å
Unit-cell length c length_c	45.610 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	107.18 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	4

Space group space_group	C 1 2 1
Space-group number int_tables_number	5
Crystal system crystal_system	—

Resolution resolution	1.800 Å
Low-resolution limit resolution_low	10.000 Å
R factor r_factor	0.1690
R_work r_work	0.1690
R_free r_free	0.2190

Description description	PR-5D
Molecular weight formula_weight	22778.5 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	1685

PATHOGENESIS-RELATED PROTEIN 5D FROM NICOTIANA TABACUM

1. Protein Identity and Related Structures Protein Identity & Related Structures

PR-5D

State in the Current Structure

Other States of the Same Protein in the Database

SAXS scattering curve SAXS Profile

P(r) Distance Distribution P(r) Distribution

2. Structure Basics 2. Structure Basics

3. SAXS Parameters (CRYSOL theoretical calculation) 3. SAXS Parameters (CRYSOL)

4. P(r) Distance Distribution (GNOM inversion) 4. P(r) Analysis (GNOM)

5. Crystallography and Experiment 5. Crystallography & Experiment

Unit cell Unit Cell

Symmetry Symmetry

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (2)

Entity 1 Entity 1 polymer

Polymer Polymer

Entity 2 Entity 2 water

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

CATH v4.4 (1 domains)

8. Citations (2)

9. Files and Curves (10)

Files (7)

Curves (3)

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	89

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