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MolNFT v1 · #135266 · protein

Pagf with boc-tyr and dmspp

5TU4 · Pagf prenyltransferase: “Pagf with boc-tyr and dmspp”. X-ray diffraction, 3 ligands (DST, B1C, MG), 1 pocket (best druggability 0.72). MolNFT v1 #135266 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5TU4
Type
protein
Length
297 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
Molecule
Pagf prenyltransferase
UniProt
F5B6Z0
Ligands
DST, B1C, MG
Pockets
1 · best druggability 0.72

Structure

x-ray diffraction · 1 distinct chain · 42% helix, 29% strand (DSSP).

ChainMoleculeTypeResiduesSecondary structureUniProt
APagf prenyltransferaseprotein29742% helix, 29% strandF5B6Z0

Ligands and binding sites

  • DST · Dimethylallyl S-thiolodiphosphate · ligand · chains A
  • B1C · N-(tert-butoxycarbonyl)-L-tyrosine · ligand · chains A
  • MG · Magnesium ion · metal · 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
14690.720.8257DST, MG, B1C

Compared structures

  • 5TU4 · PagF with Boc-Tyr and DMSPP · the same entry in another collection · chain A against A, TM-score 1.00

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