4pf5

Crystal structure of Concanavalin A complexed with a synthetic derivative of high-mannose chain

Method: X-RAY DIFFRACTION Dmax: 83.6 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 Chain B; UniProt 164–281 Chain B; UniProt 30–148 Fragment:Residues 164-281, 30-148 MN MANGANESE (II) ION × 8 M3N 4-(hydroxymethyl)-1-(alpha-D-mannopyranosyl)-1H-1,2,3-triazole × 4 EDO 1,2-ETHANEDIOL × 4 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, SITTING DROP;pH 6.5;293 K;Sodium Acetate, 1,4-dioxane Resolution 2.04 Å R-free 0.227

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 Author chain B; PDBConstruct 1–118; UniProt 164–281 Author chain B; 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 4pf5

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 4pf5
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2. Structure Basics 2. Structure Basics

Entry ID entry_id4pf5
Deposition date deposition_date2014-04-28
Structure title titleCrystal structure of Concanavalin A complexed with a synthetic derivative of high-mannose chain
Keywords keywordsSugar binding protein, Lectin, High mannose; SUGAR BINDING PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier25.91
Radius of gyration Rg (electron density) rg_electron24.70
Forward intensity I(0) i045920300.00
Molecular weight molecular_weight51946.0 kDa
Excluded volume excluded_volume64633 ų
Envelope volume envelope_volume75297 ų
Hydration-shell volume shell_volume25971 ų
Envelope diameter envelope_diameter84.4
Shell Rg shell_rg31.49
Envelope Rg envelope_rg24.93
Shape Rg shape_rg24.66
Total Rg total_rg25.57
Total atoms total_atoms3659
Residues n_residues474
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 dmax83.6
Rg (real space) rg_real25.98
Rg uncertainty (real space) rg_real_error0.62
I(0) (real space) i0_real4.5920e+07
I(0) uncertainty (real space) i0_real_error6.0920e+05
Rg (reciprocal space) rg_reciprocal25.96
I(0) (reciprocal space) i0_reciprocal45920000.0000
Solution quality estimate total_estimate0.8916
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary27.4
Skewness Skewness skewness0.407
Kurtosis Kurtosis kurtosis-0.435
Angular range angular_range— – 0.3050 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha7656000.0000
Real-space data points n_real_points62
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.892; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.960; Smooth: 0.951

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (5)

7. Fold Classification (SCOP + CATH) 4 domains

SCOP 2.08 (2 domains)

Domain ID domain_idd4pf5a_
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
Domain ID domain_idd4pf5b_
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 (2 domains)

Domain ID domain_id4pf5A00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily200
Domain ID domain_id4pf5B00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily200

8. Citations (1)

9. Files and Curves (10)