1xqn

The 15k neutron structure of saccharide-free concanavalin A

Method: NEUTRON DIFFRACTION Dmax: 65.7 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 164–281 Chain A; UniProt 30–148 Not recorded MN MANGANESE (II) ION × 4 CA CALCIUM ION × 4 NEUTRON DIFFRACTION X-ray crystallization conditions:BATCH DIALYSIS;pH 6.5;293 K;0.1M NaNO3, 0.05M Tris-acetate, 1mM MnCl2, 1mM CaCl2 (all in D2O), pH 6.50, BATCH DIALYSIS, temperature 293.0K Resolution 2.50 Å R-free 0.320

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 1–118; UniProt 164–281 Author chain A; PDBConstruct 119–237; UniProt 30–148

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 1xqn

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id1xqn
Deposition date deposition_date2004-10-13
Structure title titleThe 15k neutron structure of saccharide-free concanavalin A
Keywords keywordsCONCANAVALIN A, NEUTRON LAUE DIFFRACTION, BOUND D2O MOLECULES, CRYO-TEMPERATURE, SUGAR BINDING PROTEIN; SUGAR BINDING PROTEIN
Experimental Method methodNEUTRON DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier18.54
Radius of gyration Rg (electron density) rg_electron17.14
Forward intensity I(0) i012038700.00
Molecular weight molecular_weight25686.0 kDa
Excluded volume excluded_volume32030 ų
Envelope volume envelope_volume36041 ų
Hydration-shell volume shell_volume17563 ų
Envelope diameter envelope_diameter63.4
Shell Rg shell_rg23.49
Envelope Rg envelope_rg17.60
Shape Rg shape_rg17.12
Total Rg total_rg18.17
Total atoms total_atoms3566
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 dmax65.7
Rg (real space) rg_real18.48
Rg uncertainty (real space) rg_real_error0.55
I(0) (real space) i0_real1.2040e+07
I(0) uncertainty (real space) i0_real_error1.3790e+05
Rg (reciprocal space) rg_reciprocal18.49
I(0) (reciprocal space) i0_reciprocal12040000.0000
Solution quality estimate total_estimate0.7677
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary24.3
Skewness Skewness skewness0.295
Kurtosis Kurtosis kurtosis-0.135
Angular range angular_range— – 0.4300 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha2821000.0000
Real-space data points n_real_points74
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.667; Stabil: 0.996; Sysdev: 1.000; Positv: 1.000; Valcen: 0.989; Smooth: 0.000

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_idd1xqna_
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_id1xqnA00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily200

8. Citations (1)

9. Files and Curves (10)