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Crystals of demetallized concanavalin a soaked with cobalt having a cobalt ion bound in the S1 site

Analyse Crystals of demetallized concanavalin a soaked with cobalt having a cobalt ion… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
1ENS
Type
protein
Length
446 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Concanavalin a
UniProt
P02866
Ligands
CO
Pockets
1 · best druggability 0.33

Structure

x-ray diffraction · 2 distinct chains · 3% helix, 52% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AConcanavalin aprotein2233% helix, 52% strandP02866
BConcanavalin aprotein2233% helix, 51% strandP02866

Ligands and binding sites

  • CO · Cobalt (II) ion · metal · 2 copies · chains A, B

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

Pockets

1 pocket found on a 1 Å grid, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1590.330.7714CO

Interfaces

1 interface between chains.

  • A–B · 1161 Ų buried · 24 hydrogen bonds · protein-protein

Compared structures

  • 1ENS · Crystals of demetallized concanavalin a soaked with cobalt having a cobalt ion bound in… · 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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