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Structure of the carbohydrate-recognition domain of the C-type lectin mincle

Analyse Structure of the carbohydrate-recognition domain of the C-type lectin mincle in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4KZW
Type
protein
Length
264 residues
Chains
2
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
C-type lectin mincle
UniProt
E1BHM0
Ligands
CA, NA
Pockets
1 · best druggability 0.54

Structure

x-ray diffraction · 2 distinct chains · 16% helix, 31% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AC-type lectin mincleprotein13315% helix, 33% strandE1BHM0
BC-type lectin mincleprotein13118% helix, 29% strandE1BHM0

Ligands and binding sites

  • CA · Calcium ion · metal · 4 copies · chains A, B
  • NA · Sodium ion · metal · chains A
  • FLC · Citrate anion · additive · chains A

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

Pockets

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

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
12190.540.7726empty

Interfaces

1 interface between chains.

  • A–B · 426 Ų buried · 5 hydrogen bonds · protein-protein

Modifications

Observed in the structure: 6 disulfide (disulfide).

Compared structures

  • 4KZW · Structure of the carbohydrate-recognition domain of the C-type lectin mincle · the same entry in another collection · chain A against A, TM-score 1.00

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