Structure of PDB 8eps Chain A

Receptor sequence

>8epsA (length=652) Species: 5207 (Cryptococcus neoformans)

HHVHPLPDSVPESEDLFAPPPRMQGKEGRPKPHIGPNYESYVKEWAKTVG
PNSDEWWAAKARETLDWYDDFKTVRAGGFEHGDVQWFPEGTLNAAYNCLD
RHYYKNPKKTAIIYEADEPSESREVSYEELMQETCRVANVLKSYGVKKGD
AVSIYLPMTWQAAAAFLACARIGAIHSAVFAGFSAESLRDRVNDCECKVL
ITTDEGRRGGKTIATKQIVDAALQQCPLVENVLVLRRTGNKVPMTEGRDK
WWDEECAKMPAYCPCERMASEDPLFILYTSKPKGVVHSTAGYLLGTALTL
KYVFDAHPDDRFACMADIGWITGHSYIIYGPLANGITTAVFESTPVYPTP
SRYWDFVDKWKATQLYTAPTAIRLLRRMGEDHVKNHDLSSLRVLGSVGEP
INPEAWHWYNDFAGKNQCAIVDTYWMTETGSISIAPLPGAISTKPGSATF
PFFGMDVDIIDPQTGQVLEGNDVEGVLVARRPWPSIARTVYRDHKRYLET
YMKPYPGYFFFGDGAARDYDGYMWIKGRVDDVINVSGHRLSTAEVESALI
LHKGVAETAVVGCADDLTGQAVYAFVTMKPEFDLKATKEADLSKELAIQV
RKVIGPFAAPKKIYLVSDLPKTRSGKIMRRVLRKIVAGADPQIVEEVKQK
VT

3D structure

• PDB: 8eps Crystal Structure of Acetyl-CoA synthetase in complex with an allyl ester AMP inhibitor from Cryptococcus neoformans H99
• Chain: A
• Resolution: 2.65 Å

Enzymatic activity

• Enzyme Commision number: 6.2.1.1: acetate--CoA ligase.

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	WPO	A	W334 G412 E413 P414 D436 T437 Y438 W439 M440 T441 D527 I539	W320 G398 E399 P400 D422 T423 Y424 W425 M426 T427 D513 I525

Gene Ontology

Molecular Function

• GO:0003987 acetate-CoA ligase activity
• GO:0005524 ATP binding
• GO:0016208 AMP binding
• GO:0016874 ligase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006085 acetyl-CoA biosynthetic process
• GO:0019427 acetyl-CoA biosynthetic process from acetate

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:8eps, PDBe:8eps, PDBj:8eps
• PDBsum: 8eps
• UniProt: J9VFT1