Structure of PDB 8biq Chain A

Receptor sequence

>8biqA (length=562) Species: 399549 (Metallosphaera sedula DSM 5348)

TVQDFFRKFIEFQNSPNEKSLQEIVKLVGQLDLRRFNWVRDVFEDIHVKE
RGSKTALIWRDINTGEEAKLSYHELSLMSNRVLSTLRKHGLKKGDVVYLM
TKVHPMHWAVFLAVIKGGFVMVPSATNLTVAEMKYRFSDLKPSAIISDSL
RASVMEEALGSLKVEKFLIDGKRETWNSLEDESSNAEPEDTRGEDVIINY
FTSGTTGMPKRVIHTAVSYPVGSITTASIVGVRESDLHLNLSATGWAKFA
WSSFFSPLLVGATVVGINYEGKLDTRRYLGEVENLGVTSFCAPPTAWRQF
ITLDLDQFRFERLRSVVSAGEPLNPEVIKIWKDKFNLTIRDFYGQTETTA
MVGNFPFLKVKPGSMGKPHPLYDIRLLDDEGKEITKPYEVGHITVKLNPR
PIGLFLGYSDEKKNMESFREGYYYTGDKAYFDEEGYFYFVGRGDDVIKTS
DYRVGPFEVESALLEHPAVAEAAVVGVPDTVRWQLVKAYIVLKKGYMPSK
ELAEEIREKMKTLLSPYKVPRIIEFVDELPKTISGKIRRVELRKREEEKR
KKGEVGQNEYVF

3D structure

• PDB: 8biq Crystal structure of acyl-COA synthetase from Metallosphaera sedula in complex with acetyl-AMP
• Chain: A
• Resolution: 2.8 Å

Enzymatic activity

• Enzyme Commision number: 6.2.1.1: acetate--CoA ligase.
  6.2.1.17: propionate--CoA ligase.
  6.2.1.2: medium-chain acyl-CoA ligase.
  6.2.1.40: 4-hydroxybutyrate--CoA ligase (AMP-forming).

Interaction with ligand

Site #	Ligand	Ligand chain	Binding residues on receptor (original residue number in PDB)	Binding residues on receptor (residue number reindexed from 1)	Binding affinity
BS01	AMP	A	G328 E329 P330 G352 Q353 T354 D435 F447 K456 R461	G320 E321 P322 G344 Q345 T346 D427 F439 K448 R453

Gene Ontology

Molecular Function

• GO:0003987 acetate-CoA ligase activity
• GO:0004321 fatty-acyl-CoA synthase activity
• GO:0005524 ATP binding
• GO:0015645 fatty acid ligase activity
• GO:0016874 ligase activity
• GO:0031956 medium-chain fatty acid-CoA ligase activity
• GO:0050218 propionate-CoA ligase activity

Biological Process

• GO:0006631 fatty acid metabolic process
• GO:0006633 fatty acid biosynthetic process
• GO:0006637 acyl-CoA metabolic process

Cellular Component

• GO:0016020 membrane

External links

• PDB: RCSB:8biq, PDBe:8biq, PDBj:8biq
• PDBsum: 8biq
• UniProt: A4YDT1|HBCL1_METS5 4-hydroxybutyrate--CoA ligase 1 (Gene Name=Msed_0406)