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Trimeric structure of concanavalin a from canavalia ensiformis

Analyse Trimeric structure of concanavalin a from canavalia ensiformis in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6AHG
Type
protein
Length
705 residues
Chains
3
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Concanavalin-A,CONCANAVALIN-a
UniProt
P02866
Ligands
CD, CA
Pockets
5 · best druggability 0.59

Structure

x-ray diffraction · 1 distinct chain · 6% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
A, B, CConcanavalin-A,CONCANAVALIN-aprotein2356% helix, 47% strandP02866

Ligands and binding sites

  • CD · Cadmium ion · metal · 6 copies · chains A, B, C
  • CA · Calcium ion · metal · 3 copies · chains A, B, C

Binding sites are the residues within 4.5 Å of a ligand's heavy atoms.

Pockets

5 pockets found on a 1 Å grid, 4 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
11270.590.8529empty
21410.590.8432empty
34650.590.7461empty
41360.540.8131empty
5650.310.7514empty

Interfaces

3 interfaces between chains.

  • B–C · 570 Ų buried · 11 hydrogen bonds · protein-protein
  • A–B · 556 Ų buried · 13 hydrogen bonds · protein-protein
  • A–C · 555 Ų buried · 15 hydrogen bonds · protein-protein

Compared structures

  • 6AHG · Trimeric structure of concanavalin A from Canavalia ensiformis · the same entry in another collection · chain A against A, TM-score 1.00
  • P02866 · AlphaFold monomer V2.0 prediction for concanavalin-a (P02866) · a predicted model of the same protein · chain B against A, TM-score 0.50

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