SAXSdb — 1h20

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

METALLOCARBOXYPEPTIDASE INHIBITOR

SOLANUM TUBEROSUM

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 1–39	Not recorded	No other associated polymer	SOLUTION NMR NMR measurement conditions：pH 4；308 K；Pressure 1	Resolution not provided

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 1H20	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
4CPA REFINED CRYSTAL STRUCTURE OF THE POTATO INHIBITOR COMPLEX OF CARBOXYPEPTIDASE A AT 2.5 ANGSTROMS RESOLUTION Deposited 1982-03-24	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain I 3–38（36 aa）	Not recorded	GLY GLYCINE × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.50 Å
4CPA REFINED CRYSTAL STRUCTURE OF THE POTATO INHIBITOR COMPLEX OF CARBOXYPEPTIDASE A AT 2.5 ANGSTROMS RESOLUTION Deposited 1982-03-24	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 2 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain J 3–38（36 aa）	Not recorded	GLY GLYCINE × 1 ZN ZINC ION × 1	X-RAY DIFFRACTION mmCIF provides none of the parsed conditions	Resolution 2.50 Å
7EQZ Crystal structure of Carboxypeptidase B complexed with Potato Carboxypeptidase Inhibitor Deposited 2021-05-05	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein heterocomplex Heteromer；Protein × 2 PDB declaration: dimeric	Chain I 3–38（36 aa）	Not recorded	ZN ZINC ION × 1 GLY GLYCINE × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；298 K；1.6M Ammonium sulfate, 0.1M Sodium HEPES pH 7.5, 0.1M Sodium chloride	Resolution 2.20 Å R-free 0.196

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

View Construct and Data Evidence

UniProt name	MCPI_SOLTU
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–39； UniProt 1–39

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	1h20
Deposition date deposition_date	2002-07-29
Structure title title	Solution structure of the potato carboxypeptidase inhibitor
Keywords keywords	INHIBITOR, METALLOENZYME INHIBITOR, PLANT DEFENSE; INHIBITOR
Experimental Method method	SOLUTION NMR

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

Radius of gyration Rg (Guinier) rg_guinier	8.49 Å
Radius of gyration Rg (electron density) rg_electron	8.92 Å
Forward intensity I(0) i0	212280000.00
Molecular weight molecular_weight	107490.0 kDa
Excluded volume excluded_volume	127650 Å³
Envelope volume envelope_volume	9686 Å³
Hydration-shell volume shell_volume	7768 Å³
Envelope diameter envelope_diameter	38.2 Å
Shell Rg shell_rg	16.31 Å
Envelope Rg envelope_rg	11.77 Å
Shape Rg shape_rg	8.96 Å
Total Rg total_rg	8.96 Å
Total atoms total_atoms	14125
Residues n_residues	975
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	32.3 Å
Rg (real space) rg_real	8.51 Å
Rg uncertainty (real space) rg_real_error	0.38 Å
I(0) (real space) i0_real	2.1230e+08
I(0) uncertainty (real space) i0_real_error	2.3590e+06
Rg (reciprocal space) rg_reciprocal	8.51 Å
I(0) (reciprocal space) i0_reciprocal	212300000.0000
Solution quality estimate total_estimate	0.7983
Solution quality rating solution_quality	GOOD a GOOD solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	10.2 Å
Skewness Skewness skewness	0.436
Kurtosis Kurtosis kurtosis	0.037
Angular range angular_range	— – 0.5000 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	21870.0000
Real-space data points n_real_points	80
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.583; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.778; Smooth: 0.847

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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) 1 domains

SCOP 2.08 (1 domains)

Domain ID domain_id	d1h20a_
Class class	g — Small proteins
Fold Fold fold	g.3 — Knottins (small inhibitors, toxins, lectins)
Superfamily Superfamily superfamily	g.3.2 — Plant inhibitors of proteinases and amylases
Family Family family	g.3.2.1 — Plant inhibitors of proteinases and amylases

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8. Citations (1)

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Unit-cell length a length_a	1.000 Å
Unit-cell length b length_b	1.000 Å
Unit-cell length c length_c	1.000 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	1

Space group space_group	P 1
Space-group number int_tables_number	1
Crystal system crystal_system	—

Description description	METALLOCARBOXYPEPTIDASE INHIBITOR
Molecular weight formula_weight	4305.8 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	14125

来源生物 organism	SOLANUM TUBEROSUM
通用名 common_name	POTATO
NCBI Class编号 ncbi_taxonomy_id	4113
宿主生物 host_organism	ESCHERICHIA COLI

Solution structure of the potato carboxypeptidase inhibitor

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

METALLOCARBOXYPEPTIDASE INHIBITOR

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

6. Entities and Polymers Entities & Polymers (1)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

7. Fold Classification (SCOP + CATH) 1 domains

SCOP 2.08 (1 domains)

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)

fit	/app/data/saxs_computation/h2/1h20/1h20.fit
pddf	/app/data/pr_computation/h2/1h20/1h20.pr.out
profile	/app/data/saxs_computation/h2/1h20/1h20.dat