5z5p

Crystal structure of ConA-R3M

Method: X-RAY DIFFRACTION Dmax: 85.0 Å Quality: GOOD

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

Concanavalin-A

Canavalia ensiformis

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 × 2 PDB declaration: dimeric(2) 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 Not recorded MN MANGANESE (II) ION × 2 CA CALCIUM ION × 3 R3M 2-[2-(2-{4-[(alpha-D-mannopyranosyloxy)methyl]-1H-1,2,3-triazol-1-yl}ethoxy)ethoxy]ethyl 2-[3,6-bis(diethylamino)-9H-xanthen-9-yl]benzoate × 2 X-RAY DIFFRACTION X-ray crystallization conditions:VAPOR DIFFUSION, HANGING DROP;pH 7.2;300 K;20% polyethylene glycol 6000, 20 mM HEPES, 100 mM NaCl, 5 mM CaCl2, 5 mM MnCl2 pH 7.2 Resolution 1.40 Å R-free 0.241

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 5z5p

P(r) Distance Distribution P(r) Distribution

P(r) distribution for 5z5p
Download Download

2. Structure Basics 2. Structure Basics

Entry ID entry_id5z5p
Deposition date deposition_date2018-01-19
Structure title titleCrystal structure of ConA-R3M
Keywords keywordsConA-R3M, SUGAR BINDING PROTEIN; SUGAR BINDING PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier25.72
Radius of gyration Rg (electron density) rg_electron24.94
Forward intensity I(0) i040259100.00
Molecular weight molecular_weight49927.0 kDa
Excluded volume excluded_volume62724 ų
Envelope volume envelope_volume73927 ų
Hydration-shell volume shell_volume25378 ų
Envelope diameter envelope_diameter87.5
Shell Rg shell_rg31.50
Envelope Rg envelope_rg24.98
Shape Rg shape_rg24.93
Total Rg total_rg25.73
Total atoms total_atoms3578
Residues n_residues443
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 dmax85.0
Rg (real space) rg_real25.81
Rg uncertainty (real space) rg_real_error0.68
I(0) (real space) i0_real4.0260e+07
I(0) uncertainty (real space) i0_real_error5.9390e+05
Rg (reciprocal space) rg_reciprocal25.78
I(0) (reciprocal space) i0_reciprocal40260000.0000
Solution quality estimate total_estimate0.8771
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks2
Primary peak position r_peak_primary26.0
Skewness Skewness skewness0.422
Kurtosis Kurtosis kurtosis-0.429
Angular range angular_range— – 0.3100 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha8035000.0000
Real-space data points n_real_points63
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.830; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.954; Smooth: 0.956

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_idd5z5pa_
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_idd5z5pb_
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_id5z5pA00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily200
Domain ID domain_id5z5pB00
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily200

8. Citations (1)

9. Files and Curves (10)