SAXSdb — 1whp

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

ALLERGEN PHL P 2

Phleum pratense

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 27–122	Not recorded	No other associated polymer	X-RAY DIFFRACTION X-ray crystallization conditions：pH 4.6；CRYSTALLIZED FROM 24% PEG 4000 SOLUTION., pH 4.6	Resolution 3.00 Å

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.

Other PDB	Difference from Current Entry 1WHP	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1BMW A fibronectin type III fold in plant allergens: The solution structure of Phl PII from timothy grass pollen, NMR, 38 STRUCTURES Deposited 1998-07-27	Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 27–122（96 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 7；300 K；Ionic strength (raw mmCIF value) 10 mM PHOSPHATE BUFFER；Pressure 1 NMR sample composition H2O	Resolution not provided
1WHO ALLERGEN PHL P 2 Deposited 1997-04-04	Different oligomeric state Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 27–122（96 aa）	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions pH 4.6；CRYSTALLIZED FROM 24% PEG 4000 SOLUTION., pH 4.6	Resolution 1.90 Å
2VXQ Crystal structure of the major grass pollen allergen Phl p 2 in complex with its specific IgE-Fab Deposited 2008-07-08	Different construct Different oligomeric state Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 3 PDB declaration: trimeric	Chain A 27–122（96 aa） Fragment：RESIDUES 27-122	Not recorded	No recorded non-water small molecule	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, HANGING DROP；pH 6.8；HANGING DROP DIFFUSION, 1 MICROL PROTEIN (IN 30 MM HEPES, 0.15 M NACL PH 6.8) MIXED WITH 1 MICROL RESERVOIR (20% PEG 3350, 0.2 M NAF)	Resolution 1.90 Å R-free 0.226

3 other PDB entries and 3 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence

UniProt name	MPAP2_PHLPR
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–96； UniProt 27–122

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.

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2. Structure Basics 2. Structure Basics

Entry ID entry_id	1whp
Deposition date deposition_date	1997-04-04
Structure title title	ALLERGEN PHL P 2
Keywords keywords	TIMOTHY GRASS POLLEN ALLERGEN, ALLERGEN; ALLERGEN
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	13.82 Å
Radius of gyration Rg (electron density) rg_electron	12.39 Å
Forward intensity I(0) i0	2304380.00
Molecular weight molecular_weight	10534.0 kDa
Excluded volume excluded_volume	13216 Å³
Envelope volume envelope_volume	14597 Å³
Hydration-shell volume shell_volume	10149 Å³
Envelope diameter envelope_diameter	41.8 Å
Shell Rg shell_rg	17.98 Å
Envelope Rg envelope_rg	12.73 Å
Shape Rg shape_rg	12.34 Å
Total Rg total_rg	13.88 Å
Total atoms total_atoms	744
Residues n_residues	94
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	44.5 Å
Rg (real space) rg_real	13.72 Å
Rg uncertainty (real space) rg_real_error	0.23 Å
I(0) (real space) i0_real	2.3040e+06
I(0) uncertainty (real space) i0_real_error	2.4480e+04
Rg (reciprocal space) rg_reciprocal	13.73 Å
I(0) (reciprocal space) i0_reciprocal	2304000.0000
Solution quality estimate total_estimate	0.7346
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	18.0 Å
Skewness Skewness skewness	0.140
Kurtosis Kurtosis kurtosis	-0.285
Angular range angular_range	— – 0.5000 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	445000.0000
Real-space data points n_real_points	80
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.822; Stabil: 1.000; Sysdev: 0.368; Positv: 1.000; Valcen: 0.995; Smooth: 0.982

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (1)

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7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d1whpa_
Class class	b — All beta proteins
Fold Fold fold	b.7 — C2 domain-like
Superfamily Superfamily superfamily	b.7.3 — PHL pollen allergen
Family Family family	b.7.3.1 — PHL pollen allergen

CATH v4.4 (1 domains)

Domain ID domain_id	1whpA00
Class class	2 — Mainly Beta
Architecture architecture	60 — Sandwich
Topology topology	40 — Immunoglobulin-like
Homologous superfamily homologous superfamily	760 — Expansin, cellulose-binding-like domain

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8. Citations (2)

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Unit-cell length a length_a	39.439 Å
Unit-cell length b length_b	39.439 Å
Unit-cell length c length_c	121.877 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	90.00 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	8

Space group space_group	P 43 21 2
Space-group number int_tables_number	96
Crystal system crystal_system	—

Resolution resolution	3.000 Å
Low-resolution limit resolution_low	8.000 Å
R factor r_factor	—
R_work r_work	0.1920
R_free r_free	—

Description description	ALLERGEN PHL P 2
Molecular weight formula_weight	10828.1 kDa
Source method src_method	man
Copy count entity_count	1

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	744

ALLERGEN PHL P 2

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

ALLERGEN PHL P 2

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 (1)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

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)

来源生物 organism	Phleum pratense
通用名 common_name	timothy grass
NCBI Class编号 ncbi_taxonomy_id	15957
宿主生物 host_organism	Escherichia coli

fit	/app/data/saxs_computation/wh/1whp/1whp.fit
pddf	/app/data/pr_computation/wh/1whp/1whp.pr.out
profile	/app/data/saxs_computation/wh/1whp/1whp.dat