1nxd

Crystal structure of MnMn Concanavalin A

Method: X-RAY DIFFRACTION Dmax: 131.2 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 monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain 1; UniProt 164–281 Chain 1; UniProt 30–148 Not recorded AZI AZIDE ION × 3 MN MANGANESE (II) ION × 2 NA SODIUM ION × 1 GOL GLYCEROL × 8 X-RAY DIFFRACTION X-ray crystallization conditions:Gel Acupuncture Method (GAME);pH 8;293 K;PEG 6000, Sodium Chloride, Calcium Chloride, Manganese Chloride, Sodium Azide, Tris-HCl , pH 8, Gel Acupuncture Method (GAME), temperature 293K Resolution 1.90 Å R-free 0.201
2 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain 2; UniProt 164–281 Chain 2; UniProt 30–148 Not recorded AZI AZIDE ION × 5 MN MANGANESE (II) ION × 2 NA SODIUM ION × 1 GOL GLYCEROL × 6 X-RAY DIFFRACTION X-ray crystallization conditions:Gel Acupuncture Method (GAME);pH 8;293 K;PEG 6000, Sodium Chloride, Calcium Chloride, Manganese Chloride, Sodium Azide, Tris-HCl , pH 8, Gel Acupuncture Method (GAME), temperature 293K Resolution 1.90 Å R-free 0.201
3 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain 3; UniProt 164–281 Chain 3; UniProt 30–148 Not recorded AZI AZIDE ION × 4 MN MANGANESE (II) ION × 2 NA SODIUM ION × 1 GOL GLYCEROL × 5 X-RAY DIFFRACTION X-ray crystallization conditions:Gel Acupuncture Method (GAME);pH 8;293 K;PEG 6000, Sodium Chloride, Calcium Chloride, Manganese Chloride, Sodium Azide, Tris-HCl , pH 8, Gel Acupuncture Method (GAME), temperature 293K Resolution 1.90 Å R-free 0.201
4 Protein monomer Monomer Protein × 1 PDB declaration: monomeric(1) Consistent with protein copy count Chain 4; UniProt 164–281 Chain 4; UniProt 30–148 Not recorded AZI AZIDE ION × 4 MN MANGANESE (II) ION × 2 NA SODIUM ION × 1 GOL GLYCEROL × 6 X-RAY DIFFRACTION X-ray crystallization conditions:Gel Acupuncture Method (GAME);pH 8;293 K;PEG 6000, Sodium Chloride, Calcium Chloride, Manganese Chloride, Sodium Azide, Tris-HCl , pH 8, Gel Acupuncture Method (GAME), temperature 293K Resolution 1.90 Å R-free 0.201
5 Protein homooligomer Homooligomer Protein × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain 1; UniProt 164–281 Chain 1; UniProt 30–148 Chain 2; UniProt 164–281 Chain 2; UniProt 30–148 Not recorded AZI AZIDE ION × 16 MN MANGANESE (II) ION × 8 NA SODIUM ION × 4 GOL GLYCEROL × 28 X-RAY DIFFRACTION X-ray crystallization conditions:Gel Acupuncture Method (GAME);pH 8;293 K;PEG 6000, Sodium Chloride, Calcium Chloride, Manganese Chloride, Sodium Azide, Tris-HCl , pH 8, Gel Acupuncture Method (GAME), temperature 293K Resolution 1.90 Å R-free 0.201
6 Protein homooligomer Homooligomer Protein × 4 PDB declaration: tetrameric(4) Consistent with protein copy count Chain 3; UniProt 164–281 Chain 3; UniProt 30–148 Chain 4; UniProt 164–281 Chain 4; UniProt 30–148 Not recorded AZI AZIDE ION × 16 MN MANGANESE (II) ION × 8 NA SODIUM ION × 4 GOL GLYCEROL × 22 X-RAY DIFFRACTION X-ray crystallization conditions:Gel Acupuncture Method (GAME);pH 8;293 K;PEG 6000, Sodium Chloride, Calcium Chloride, Manganese Chloride, Sodium Azide, Tris-HCl , pH 8, Gel Acupuncture Method (GAME), temperature 293K Resolution 1.90 Å R-free 0.201
7 Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain 1; UniProt 164–281 Chain 1; UniProt 30–148 Chain 2; UniProt 164–281 Chain 2; UniProt 30–148 Not recorded AZI AZIDE ION × 8 MN MANGANESE (II) ION × 4 NA SODIUM ION × 2 GOL GLYCEROL × 14 X-RAY DIFFRACTION X-ray crystallization conditions:Gel Acupuncture Method (GAME);pH 8;293 K;PEG 6000, Sodium Chloride, Calcium Chloride, Manganese Chloride, Sodium Azide, Tris-HCl , pH 8, Gel Acupuncture Method (GAME), temperature 293K Resolution 1.90 Å R-free 0.201
8 Protein homooligomer Homooligomer Protein × 2 PDB declaration: dimeric(2) Consistent with protein copy count Chain 3; UniProt 164–281 Chain 3; UniProt 30–148 Chain 4; UniProt 164–281 Chain 4; UniProt 30–148 Not recorded AZI AZIDE ION × 8 MN MANGANESE (II) ION × 4 NA SODIUM ION × 2 GOL GLYCEROL × 11 X-RAY DIFFRACTION X-ray crystallization conditions:Gel Acupuncture Method (GAME);pH 8;293 K;PEG 6000, Sodium Chloride, Calcium Chloride, Manganese Chloride, Sodium Azide, Tris-HCl , pH 8, Gel Acupuncture Method (GAME), temperature 293K Resolution 1.90 Å R-free 0.201

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 82 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 1; PDBConstruct 1–118; UniProt 164–281 Author chain 1; PDBConstruct 119–237; UniProt 30–148 Author chain 2; PDBConstruct 1–118; UniProt 164–281 Author chain 2; PDBConstruct 119–237; UniProt 30–148 Author chain 3; PDBConstruct 1–118; UniProt 164–281 Author chain 3; PDBConstruct 119–237; UniProt 30–148 Author chain 4; PDBConstruct 1–118; UniProt 164–281 Author chain 4; 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 1nxd

P(r) Distance Distribution P(r) Distribution

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

Entry ID entry_id1nxd
Deposition date deposition_date2003-02-10
Structure title titleCrystal structure of MnMn Concanavalin A
Keywords keywordsLectin, METAL BINDING PROTEIN; METAL BINDING PROTEIN
Experimental Method methodX-RAY DIFFRACTION

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

Radius of gyration Rg (Guinier) rg_guinier42.71
Radius of gyration Rg (electron density) rg_electron42.25
Forward intensity I(0) i0174064000.00
Molecular weight molecular_weight105870.0 kDa
Excluded volume excluded_volume131300 ų
Envelope volume envelope_volume186070 ų
Hydration-shell volume shell_volume36277 ų
Envelope diameter envelope_diameter135.6
Shell Rg shell_rg49.34
Envelope Rg envelope_rg40.04
Shape Rg shape_rg42.24
Total Rg total_rg42.62
Total atoms total_atoms7446
Residues n_residues948
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 dmax131.2
Rg (real space) rg_real42.67
Rg uncertainty (real space) rg_real_error1.54
I(0) (real space) i0_real1.7410e+08
I(0) uncertainty (real space) i0_real_error3.4560e+06
Rg (reciprocal space) rg_reciprocal42.71
I(0) (reciprocal space) i0_reciprocal174100000.0000
Solution quality estimate total_estimate0.7916
Solution quality rating solution_quality GOOD a GOOD solution
P(r) peaks n_peaks3
Primary peak position r_peak_primary70.9
Skewness Skewness skewness-0.009
Kurtosis Kurtosis kurtosis-1.018
Angular range angular_range— – 0.1850 −1
Current regularization parameter α current_alpha0.0000
Highest regularization parameter α highest_alpha12790000.0000
Real-space data points n_real_points38
GNOM version gnom_version4.1.3
Quality Criteria quality_criteria AN1: 0.000; Oscil: 0.546; Stabil: 1.000; Sysdev: 1.000; Positv: 1.000; Valcen: 0.855; Smooth: 0.794

5. Crystallography and Experiment 5. Crystallography & Experiment

6. Entities and Polymers Entities & Polymers (6)

7. Fold Classification (SCOP + CATH) 8 domains

SCOP 2.08 (4 domains)

Domain ID domain_idd1nxd1_
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_idd1nxd2_
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_idd1nxd3_
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_idd1nxd4_
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 (4 domains)

Domain ID domain_id1nxd100
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily200
Domain ID domain_id1nxd200
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily200
Domain ID domain_id1nxd300
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily200
Domain ID domain_id1nxd400
Class class2 — Mainly Beta
Architecture architecture60 — Sandwich
Topology topology120 — Jelly Rolls
Homologous superfamily homologous superfamily200

8. Citations (2)

9. Files and Curves (10)