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MolNFT v1 · #134891 · protein

X-ray structure of acyl-CoA thioesterase I, tesa, triple mutant M141L/Y145K/L146K in complex with octanoic acid

5TIF: “X-ray structure of acyl-CoA thioesterase I, tesa, triple mutant M141L/Y145K/L146K in complex with octanoic…”. X-ray diffraction, 1 ligand (OCA). MolNFT v1 #134891 on GenesisL1: 3D structure, binding sites and pockets in GL1X.

PDB
5TIF
Type
protein
Length
182 residues
Chains
1
Method
x-ray diffraction
Collection
MolNFT v1 / PDB
Contract
0xDE3723766Bc32dcACD03C17BaA400A7B36837Eba
Owner
0x3396CDB397284571d12822B4ae1189a8E22AAAAA
UniProt
P0ADA1
Ligands
OCA

Structure

x-ray diffraction · 1 distinct chain.

ChainMoleculeTypeResiduesSecondary structureUniProt
A—protein182—P0ADA1

Ligands and binding sites

  • OCA · Octanoic acid (caprylic acid) · ligand · chains A
  • PEG · Di(hydroxyethyl)ether · additive · chains A

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

Compared structures

  • P0ADA1 · AlphaFold monomer V2.0 prediction for thioesterase 1/PROTEASE 1/LYSOPHOSPHOLIPASE L1… · a predicted model of the same protein · chain A against A, TM-score 0.98

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