6v7g

Binding of Benzoic Acid and Anions Within the Cupin Domains of the Vicillin Protein Canavalin from Jack Bean (canavalia ensiformis): Crystal Structures

Method: X-RAY DIFFRACTION Dmax: 94.3 Å Quality: GOOD

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

Canavalin

OrganismNot specified

UniProt P50477

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 homooligomer Homooligomer Protein × 3 PDB declaration: trimeric(3) Consistent with protein copy count Chain A; UniProt 1–445 Non-standard monomer:Yes (specific site not provided by mmCIF) ACT ACETATE ION × 3 BEZ BENZOIC ACID × 3 CIT CITRIC ACID × 3 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 6;298 K;Vapor diffusion in sitting drop Cryschem plates. Reservoirs were 1.0 M sodium citrate titrated with acetic acid to pH6.0. Drops were initially equal amounts of the reservoir solution with a protein stock solution of 30 mg/ml canavalin in water with a trace of ammonium hydroxide. At room temperature crystallization time was about three weeks. Resolution 1.40 Å R-free 0.188

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.

10 other PDB entries and 10 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CANA_CANEN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 1–445; UniProt 1–445

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

SAXS profile for 6v7g

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 6v7g
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2. Structure Basics 2. Structure Basics

Entry ID entry_id6v7g
Deposition date deposition_date2019-12-08
Structure title titleBinding of Benzoic Acid and Anions Within the Cupin Domains of the Vicillin Protein Canavalin from Jack Bean (canavalia ensiformis): Crystal Structures
Keywords keywordsplant proteins, ligands, salicylic acid, enzymes, PLANT PROTEIN; PLANT PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier24.79
Radius of gyration Rg (electron density) rg_electron23.96
Forward intensity I(0) i028980700.00
Molecular weight molecular_weight41087.0 kDa
Excluded volume excluded_volume51385 ų
Envelope volume envelope_volume64444 ų
Hydration-shell volume shell_volume23749 ų
Envelope diameter envelope_diameter95.7
Shell Rg shell_rg29.61
Envelope Rg envelope_rg24.93
Shape Rg shape_rg23.97
Total Rg total_rg24.60
Total atoms total_atoms5751
Residues n_residues356
Spherical-harmonic order n_harmonics20
q range q_range— – 0.5000 −1
Data points n_points101
Shell type shell_typedirectional
Solvent electron density solvent_density0.3340 e/ų
Shell contrast contrast_shell0.0300 e/ų
CRYSOL version crysol_version4.1.3

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

Maximum dimension Dmax dmax94.3
Rg (real space) rg_real25.06
Rg uncertainty (real space) rg_real_error0.84
I(0) (real space) i0_real2.8980e+07
I(0) uncertainty (real space) i0_real_error4.3630e+05
Rg (reciprocal space) rg_reciprocal24.99
I(0) (reciprocal space) i0_reciprocal28980000.0000
Solution quality estimate total_estimate0.7758
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks1
Primary peak position r_peak_primary26.9
Skewness Skewness skewness0.723
Kurtosis Kurtosis kurtosis0.541
Angular range angular_range— – 0.3200 −1
Current regularization parameter α current_alpha0.0001
Highest regularization parameter α highest_alpha3230000.0000
Real-space data points n_real_points64
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.470; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.707; Smooth: 0.965

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd6v7ga1
Class classb — All beta proteins
Fold Fold foldb.82 — Double-stranded beta-helix
Superfamily Superfamily superfamilyb.82.1 — RmlC-like cupins
Family Family familyb.82.1.2 — Germin/Seed storage 7S protein
Domain ID domain_idd6v7ga2
Class classb — All beta proteins
Fold Fold foldb.82 — Double-stranded beta-helix
Superfamily Superfamily superfamilyb.82.1 — RmlC-like cupins
Family Family familyb.82.1.2 — Germin/Seed storage 7S protein

8. Citations (1)

9. Files and Curves (10)