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MolNFT v1 · #154469 · protein

Crystal structure of lectin from pleurotus ostreatus in complex with rhamnose

6KC2: “Crystal structure of lectin from pleurotus ostreatus in complex with rhamnose”. X-ray diffraction, 3 ligands (NAG, RAM, CA), 2 pockets (best druggability 0.28). MolNFT v1 #154469 on GenesisL1: 3D structure, binding sites and pockets…

PDB
6KC2
Type
protein
Length
338 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Lectin
UniProt
E7E2M2
Ligands
NAG, RAM, CA
Pockets
2 · best druggability 0.28

Structure

x-ray diffraction · 1 distinct chain · 0% helix, 51% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
ALectinprotein3380% helix, 51% strandE7E2M2

Ligands and binding sites

  • NAG · 2-acetamido-2-deoxy-beta-D-glucopyranose · sugar · 6 copies · chains A
  • RAM · alpha-L-rhamnopyranose · sugar · 2 copies · chains A
  • CA · Calcium ion · metal · 2 copies · chains A

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
1560.280.7419empty
2540.260.7215empty

Modifications

Observed in the structure: 3 glycan, 1 disulfide (N-glycosylation, disulfide).

Compared structures

  • 6KC2 · Crystal Structure of Lectin from Pleurotus ostreatus in complex with Rhamnose · the same entry in another collection · chain A against A, TM-score 1.00

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