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MolNFT v1 · #11760 · protein

Crystal structure of the complex of concanavalin a and hexapeptide

1JW6: “Crystal structure of the complex of concanavalin a and hexapeptide”. X-ray diffraction, 3 ligands (PTD, MN, CA). MolNFT v1 #11760 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
1JW6
Type
protein
Length
243 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Concanavalin a; Protein (6-mer)
UniProt
P02866
Ligands
PTD, MN, CA

Structure

x-ray diffraction · 2 distinct chains · 4% helix, 47% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AConcanavalin aprotein2374% helix, 49% strandP02866
BProtein (6-mer)protein60% helix, 0% strand—

Ligands and binding sites

  • PTD · Pentanedial · ligand · chains A, B
  • MN · Manganese (II) ion · metal · chains A
  • CA · Calcium ion · metal · chains A
  • IPA · Isopropyl alcohol · additive · chains A

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

Interfaces

1 interface between chains.

  • A–B · 444 Ų buried · 10 hydrogen bonds · protein-protein

Compared structures

  • 1JW6 · Crystal Structure of the Complex of Concanavalin A and Hexapeptide · 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 0.50

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