› 3k2i

X-ray diffraction
2.4Å resolution

Human Acyl-coenzyme A thioesterase 4

Released:
DOI: 10.2210/pdb3k2i/pdb
PDB entry 3k2i coloured by chain, front view.
PDB entry 3k2i coloured by chain, side view.
PDB entry 3k2i coloured by chain, top view.
Source organism: Homo sapiens
Entry authors: Siponen MI, Moche M, Arrowsmith CH, Berglund H, Bountra C, Collins R, Edwards AM, Flodin S, Flores A, Graslund S, Hammarstrom M, Johansson A, Johansson I, Kallas A, Karlberg T, Kraulis P, Kotenyova T, Kotzsch A, Markova N, Nielsen TK, Nordlund P, Nyman T, Persson C, Roos AK, Schutz P, Svensson L, Thorsell AG, Tresaugues L, Van Den Berg S, Wahlberg E, Weigelt J, Welin M, Wisniewska M, Schuler H, Structural Genomics Consortium (SGC)

Function and Biology Details

Reactions catalysed: 
Palmitoyl-CoA + H(2)O = CoA + palmitate
Succinyl-CoA + H(2)O = CoA + succinate
Biochemical function:
Biological process:
Cellular component:
Sequence domains:

Structure analysis Details

Assemblies composition:
monomeric (preferred)
homo dimer
Assembly name:
PDBe Complex ID:
PDB-CPX-185445 (preferred)
Entry contents:
1 distinct polypeptide molecule
Macromolecule:
Peroxisomal succinyl-coenzyme A thioesterase Chains: A, B
Molecule details ›
Chains: A, B
Length: 422 amino acids
Theoretical weight: 46.45 KDa
Source organism: Homo sapiens
Expression system: Escherichia coli BL21(DE3)
UniProt:
  • Canonical: Q8N9L9 (Residues: 1-421; Coverage: 100%)
Gene names: ACOT4, PTE2B, PTEIB
Sequence domains:
Structure domains:

Ligands and Environments

2 bound ligands:
Ligand NI 2 x NI
Ligand CL 3 x CL
No modified residues

Experiments and Validation Details

Entry percentile scores
X-ray source: DIAMOND BEAMLINE I02
Spacegroup: P212121
Unit cell:
a: 72.47Å b: 93Å c: 133.72Å
α: 90° β: 90° γ: 90°
R-values:
R R work R free
0.194 0.192 0.249
Expression system: Escherichia coli BL21(DE3)

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