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Crystal structure of subtype-switched epithelial adhesin 1 to 2 a domain (EPA1TO2A) from candida glabrata in complex with glycerol

Analyse Crystal structure of subtype-switched epithelial adhesin 1 to 2 a domain… in the GL1X research workbench: secondary structure, accessibility, pockets, interfaces, conservation, variants, modifications, peptides, crosslinks and neighbours on the 3D structure.

PDB
4AFA
Type
protein
Length
227 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
EPA1P
UniProt
Q6VBJ0
Ligands
GLC, GAL, CA
Pockets
1 · best druggability 0.36

Structure

x-ray diffraction · 1 distinct chain · 7% helix, 41% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEPA1Pprotein2277% helix, 41% strandQ6VBJ0

Ligands and binding sites

  • GLC · alpha-D-glucopyranose · sugar · chains A
  • GAL · beta-D-galactopyranose · sugar · chains A
  • CA · Calcium ion · metal · chains A
  • GOL · Glycerol · additive · 3 copies · chains A
  • PEG · Di(hydroxyethyl)ether · 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, 0 with a druggability of 0.5 or more.

PocketVolume (ų)DruggabilityBuriednessLining residuesInside
1790.360.7624empty

Modifications

Observed in the structure: 3 disulfide (disulfide).

Compared structures

  • 4AFA · Crystal Structure of subtype-switched Epithelial Adhesin 1 to 2 A domain (Epa1to2A) from… · the same entry in another collection · chain A against A, TM-score 1.00

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