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MolNFT v1 · #10235 · protein

Liganded sterol carrier protein type 2 (scp-2) like domain of human multifunctional enzyme type 2 (mfe-2)

1IKT · Estradiol 17 beta-dehydrogenase 4: “Liganded sterol carrier protein type 2 (scp-2) like domain of human multifunctional enzyme type 2 (mfe-2)”. X-ray diffraction, 2 ligands (OXN, SO4), 1 pocket (best druggability 0.72). MolNFT v1…

PDB
1IKT
Type
protein
Length
115 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Estradiol 17 beta-dehydrogenase 4
EC
1.1.1.62
UniProt
P51659
Ligands
OXN, SO4
Pockets
1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 44% helix, 27% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
AEstradiol 17 beta-dehydrogenase 4 (EC 1.1.1.62)protein11544% helix, 27% strandP51659

Ligands and binding sites

  • OXN · Oxtoxynol-10 · ligand · chains A
  • SO4 · Sulfate ion · ion · 2 copies · 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
13370.720.8333SO4, OXN

Compared structures

  • 1IKT · Liganded sterol carrier protein type 2 (scp-2) like domain of human multifunctional… · the same entry in another collection · chain A against A, TM-score 1.00
  • P51659 · AlphaFold monomer V2.0 prediction for peroxisomal multifunctional enzyme type 2 (P51659) · a predicted model of the same protein · chain A against A, TM-score 0.94

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