1qny

X-ray refinement of D2O soaked crystal of concanavalin A

Method: X-RAY DIFFRACTION Dmax: 63.2 Å Quality: GOOD

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

CONCANAVALIN A

OrganismNot specified

UniProt P02866

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 × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain A; UniProt 30–148 Chain A; UniProt 164–281 Not recorded MN MANGANESE (II) ION × 4 CA CALCIUM ION × 4 X-RAY DIFFRACTION X-ray crystallization conditions:pH 6.5;CRYSTALS SELECTED FOR X-RAY STUDY WERE TRANSFERRED TO A 1ML BUFFER MADE OF 99.9% D2O WITH 0.1M NANO3, 0.05M TRIS-ACETATE, 1MM MNCL2 AND 1MM CACL2 PH 6.5. Resolution 1.80 Å R-free 0.198

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.

72 other PDB entries and 89 assemblies. Open the comparison page and filter oligomeric states

View Construct and Data Evidence
UniProt name CONA_CANEN
Isoform
PDB entities 1
Chains and sequence ranges Author chain A; PDBConstruct 119–237; UniProt 30–148 Author chain A; PDBConstruct 1–118; UniProt 164–281

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 1qny

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 1qny
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2. Structure Basics 2. Structure Basics

Entry ID entry_id1qny
Deposition date deposition_date1999-10-26
Structure title titleX-ray refinement of D2O soaked crystal of concanavalin A
Keywords keywordsLECTIN, CONCANAVALIN A, SACCHSARIDE FREE, D2O SOAKED; LECTIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier18.65
Radius of gyration Rg (electron density) rg_electron17.23
Forward intensity I(0) i012102400.00
Molecular weight molecular_weight25686.0 kDa
Excluded volume excluded_volume32030 ų
Envelope volume envelope_volume36535 ų
Hydration-shell volume shell_volume17711 ų
Envelope diameter envelope_diameter63.6
Shell Rg shell_rg23.59
Envelope Rg envelope_rg17.69
Shape Rg shape_rg17.22
Total Rg total_rg18.28
Total atoms total_atoms1811
Residues n_residues237
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 dmax63.2
Rg (real space) rg_real18.59
Rg uncertainty (real space) rg_real_error0.33
I(0) (real space) i0_real1.2100e+07
I(0) uncertainty (real space) i0_real_error1.4560e+05
Rg (reciprocal space) rg_reciprocal18.60
I(0) (reciprocal space) i0_reciprocal12100000.0000
Solution quality estimate total_estimate0.8679
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary24.2
Skewness Skewness skewness0.291
Kurtosis Kurtosis kurtosis-0.136
Angular range angular_range— – 0.4250 −1
Current regularization parameter α current_alpha0.0001
Highest regularization parameter α highest_alpha2633000.0000
Real-space data points n_real_points74
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.764; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.999; Smooth: 0.987

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (4)

7. Fold Classification (SCOP + CATH) 2 domains

SCOP 2.08 (1 domains)

Domain ID domain_idd1qnya_
Class classb — All beta proteins
Fold Fold foldb.29 — Concanavalin A-like lectins/glucanases
Superfamily Superfamily superfamilyb.29.1 — Concanavalin A-like lectins/glucanases
Family Family familyb.29.1.1 — Legume lectins

CATH v4.4 (1 domains)

Domain ID domain_id1qnyA00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily200

8. Citations (3)

9. Files and Curves (10)