SAXSdb — 7eqz

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

Carboxypeptidase B

Aedes aegypti

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain A； UniProt 114–412	Fragment：Mature region	Metallocarboxypeptidase inhibitor × 1 （P01075） 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

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 7EQZ	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
7EQX Crystal structure of an Aedes aegypti procarboxypeptidase B1 Deposited 2021-05-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 1 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain A 19–113（95 aa） Fragment：Pro-region Chain C 114–412（299 aa） Fragment：Mature region	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M Ammonium sulphate, 0.1M sodium cacodylate trihydrate pH 6.5, 30% w/v PEG 8000	Resolution 2.08 Å R-free 0.198
7EQX Crystal structure of an Aedes aegypti procarboxypeptidase B1 Deposited 2021-05-05	Different construct Different mutation/modification Different oligomeric state Different ligand/ion Different experimental conditions Different structure-quality metrics	Assembly 2 Protein homooligomer Homooligomer；Protein × 2 PDB declaration: dimeric	Chain B 19–113（95 aa） Fragment：Pro-region Chain D 114–412（299 aa） Fragment：Mature region	Not recorded	ZN ZINC ION × 1	X-RAY DIFFRACTION X-ray crystallization conditions VAPOR DIFFUSION, SITTING DROP；293 K；0.2M Ammonium sulphate, 0.1M sodium cacodylate trihydrate pH 6.5, 30% w/v PEG 8000	Resolution 2.08 Å R-free 0.198

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

View Construct and Data Evidence

UniProt name	Q6J661_AEDAE
Isoform	—
PDB entities	1
Chains and sequence ranges	Author chain A； PDBConstruct 1–299； UniProt 114–412

Metallocarboxypeptidase inhibitor

OrganismNot specified

UniProt P01075

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 heterocomplex Heteromer Protein × 2 PDB declaration: dimeric（2） Consistent with protein copy count	Chain I； UniProt 3–38	Not recorded	Carboxypeptidase B × 1 （Q6J661） 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

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 7EQZ	Assembly / Oligomeric State	Construct	Mutations and Modifications	Ligands, Ions and Non-polymers	Method and Experimental Conditions	Structure Quality
1H20 Solution structure of the potato carboxypeptidase inhibitor Deposited 2002-07-29	Different construct Different oligomeric state Different ligand/ion Different experimental method Different experimental conditions Different structure-quality metrics	Assembly 1 Protein monomer Monomer；Protein × 1 PDB declaration: monomeric	Chain A 1–39（39 aa）	Not recorded	No recorded non-water small molecule	SOLUTION NMR NMR measurement conditions pH 4；308 K；Pressure 1	Resolution not provided
4CPA REFINED CRYSTAL STRUCTURE OF THE POTATO INHIBITOR COMPLEX OF CARBOXYPEPTIDASE A AT 2.5 ANGSTROMS RESOLUTION Deposited 1982-03-24	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 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

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	2
Chains and sequence ranges	Author chain I； PDBConstruct 1–36； UniProt 3–38

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	7eqz
Deposition date deposition_date	2021-05-05
Structure title title	Crystal structure of Carboxypeptidase B complexed with Potato Carboxypeptidase Inhibitor
Keywords keywords	ANTIVIRAL PROTEIN, Hydrolase-Hydrolase inhibitor complex; Hydrolase/Hydrolase inhibitor
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	19.52 Å
Radius of gyration Rg (electron density) rg_electron	18.38 Å
Forward intensity I(0) i0	23790800.00
Molecular weight molecular_weight	36657.0 kDa
Excluded volume excluded_volume	45454 Å³
Envelope volume envelope_volume	50003 Å³
Hydration-shell volume shell_volume	21877 Å³
Envelope diameter envelope_diameter	63.3 Å
Shell Rg shell_rg	25.65 Å
Envelope Rg envelope_rg	18.75 Å
Shape Rg shape_rg	18.35 Å
Total Rg total_rg	19.39 Å
Total atoms total_atoms	2579
Residues n_residues	334
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	62.0 Å
Rg (real space) rg_real	19.37 Å
Rg uncertainty (real space) rg_real_error	0.30 Å
I(0) (real space) i0_real	2.3790e+07
I(0) uncertainty (real space) i0_real_error	2.7060e+05
Rg (reciprocal space) rg_reciprocal	19.39 Å
I(0) (reciprocal space) i0_reciprocal	23790000.0000
Solution quality estimate total_estimate	0.7204
Solution quality rating solution_quality	REASONABLE a REASONABLE solution
P(r) peaks n_peaks	2
Primary peak position r_peak_primary	25.3 Å
Skewness Skewness skewness	0.122
Kurtosis Kurtosis kurtosis	-0.389
Angular range angular_range	— – 0.4050 Å⁻¹
Current regularization parameter α current_alpha	0.0000
Highest regularization parameter α highest_alpha	6104000.0000
Real-space data points n_real_points	72
GNOM version gnom_version	4.1.3
Quality Criteria quality_criteria	AN1: 0.000; Oscil: 0.847; Stabil: 1.000; Sysdev: 0.278; Positv: 1.000; Valcen: 0.992; Smooth: 0.995

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5. Crystallography and Experiment 5. Crystallography & Experiment

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6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Description description	Carboxypeptidase B
Molecular weight formula_weight	32930.7 kDa
EC 编号 ec_number	3.4.17.2
Source method src_method	man
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	A
Atom count atom_count	2779

DVSTSYLRHNEINEYLQTLSQKYPSLVSVEEAGTSYEGRSIKTITINKKPGNAVVFLDAGIHAREWIAPATALYAIEQLVEHSSENQEVLSNLTWVIMPVVNPDGYEFSHETDRFWRKTRKPTGKSCKGTDGNRNFDYHWGEVGASTQACADTFRGETAFSEPETRAVRDAVMKLKGSCKFYLSLHSYGNYILYPWGWTSKLPETWEAIDEVAQAGAEAIKQSTGSRYTVGSSTNVLYAAAGGSDDWAFAVAEVPISITMELPGGGNGGFNPPPSSIEKIVNESWVGIKAMALKVAQMF

来源 Source

来源生物 organism	Aedes aegypti
通用名 common_name	Yellowfever mosquito, Culex aegypti
NCBI Class编号 ncbi_taxonomy_id	7159
宿主生物 host_organism	Escherichia coli K-12

Entity 2 Entity 2 polymer

Description description	Metallocarboxypeptidase inhibitor
Molecular weight formula_weight	3991.5 kDa
Source method src_method	nat
Copy count entity_count	1

Polymer Polymer

Polymer type type	polypeptide(L)
Chain IDs strand_id	I

HADPICNKPCKTHDDCSGAWFCQACWNSARTCGPYV

Entity 3 Entity 3 non-polymer

Description description	ZINC ION
Molecular weight formula_weight	65.4 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 4 Entity 4 non-polymer

Description description	GLYCINE
Molecular weight formula_weight	75.1 kDa
Source method src_method	syn
Copy count entity_count	1

Entity 5 Entity 5 water

Description description	water
Molecular weight formula_weight	18.0 kDa
Source method src_method	nat
Copy count entity_count	200

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8. Citations (1)

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Unit-cell length a length_a	40.451 Å
Unit-cell length b length_b	87.208 Å
Unit-cell length c length_c	49.069 Å
Unit-cell angle α angle_alpha	90.00 °
Unit-cell angle β angle_beta	107.70 °
Unit-cell angle γ angle_gamma	90.00 °
Molecules per unit cell Z z_pdb	2

Space group space_group	P 1 21 1
Space-group number int_tables_number	4
Crystal system crystal_system	monoclinic

Resolution resolution	2.200 Å
Low-resolution limit resolution_low	31.890 Å
R factor r_factor	0.1586
R_work r_work	0.1545
R_free r_free	0.1959

fit	/app/data/saxs_computation/eq/7eqz/7eqz.fit
pddf	/app/data/pr_computation/eq/7eqz/7eqz.pr.out
profile	/app/data/saxs_computation/eq/7eqz/7eqz.dat

Crystal structure of Carboxypeptidase B complexed with Potato Carboxypeptidase Inhibitor

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

Carboxypeptidase B

State in the Current Structure

Other States of the Same Protein in the Database

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

Refinement Refinement

Diffraction experiment Diffraction

6. Entities and Polymers Entities & Polymers (5)

Entity 1 Entity 1 polymer

Polymer Polymer

来源 Source

Entity 2 Entity 2 polymer

Polymer Polymer

Entity 3 Entity 3 non-polymer

Entity 4 Entity 4 non-polymer

Entity 5 Entity 5 water

8. Citations (1)

9. Files and Curves (10)

Files (7)

Curves (3)