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Pro-concanavalin a: precursor of circularly permuted concanavalin a

Analyse Pro-concanavalin a: precursor of circularly permuted concanavalin a in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
6XT6
Type
protein
Length
482 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Concanavalin-a
UniProt
P02866
Ligands
CA, MN, ZN
Pockets
2 · best druggability 0.37

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 45% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AConcanavalin-aprotein2415% helix, 44% strandP02866
BConcanavalin-aprotein2414% helix, 45% strandP02866

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A, B
  • MN · Manganese (II) ion · metal · 2 copies · chains A, B
  • ZN · Zinc ion · metal · 2 copies · chains A, B
  • EDO · 1,2-ethanediol · additive · 15 copies · chains A, B

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1570.370.8013empty
2640.340.7717empty

Interfaces

1 interface between chains.

  • A–B · 1082 Ų buried · 17 hydrogen bonds · protein-protein

Compared structures

  • 6XT6 · pro-concanavalin A: Precursor of circularly permuted concanavalin A · 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 A against A, TM-score 1.00

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