Structure of PDB 8g0u Chain A

Receptor sequence

>8g0uA (length=666) Species: 5207 (Cryptococcus neoformans)

VHHVHPLPDSVPESEDLFAPPPRMQGKEGRPKPHIGPNYESYVKEWAKTV
GPNSDEWWAAKARETLDWYDDFKTVRAGGFEHGDVQWFPEGTLNAAYNCL
DRHYYKNPKKTAIIYEADEPSESREVSYEELMQETCRVANVLKSYGVKKG
DAVSIYLPMTWQAAAAFLACARIGAIHSAVFAGFSAESLRDRVNDCECKV
LITTDEGRRGGKTIATKQIVDAALQQCPLVENVLVLRRTGNKVPMTEGRD
KWWDEECAKMPAYCPCERMASEDPLFILYTSTGKPKGVVHSTAGYLLGTA
LTLKYVFDAHPDDRFACMADIGWITGHSYIIYGPLANGITTAVFESTPVY
PTPSRYWDFVDKWKATQLYTAPTAIRLLRRMGEDHVKNHDLSSLRVLGSV
GEPINPEAWHWYNDFAGKNQCAIVDTYWMTETGSISIAPLPGAISTKPGS
ATFPFFGMDVDIIDPQTGQVLEGNDVEGVLVARRPWPSIARTVYRDHKRY
LETYMKPYPGYFFFGDGAARDYDGYMWIKGRVDDVINVSGHRLSTAEVES
ALILHKGVAETAVVGCADDLTGQAVYAFVTMKPEFDLKATKEADLSKELA
IQVRKVIGPFAAPKKIYLVSDLPKTRSGKIMRRVLRKIVAGEGDQLGDLS
SIADPQIVEEVKQKVT

3D structure

• PDB: 8g0u Crystal Structure of Acetyl-CoA synthetase in complex with an isopropyl ester AMP inhibitor from Cryptococcus neoformans H99
• Chain: A
• Resolution: 1.9 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	YHQ	A	W334 I335 G412 E413 P414 T437 Y438 W439 M440 T441 D527 I539 R542	W323 I324 G401 E402 P403 T426 Y427 W428 M429 T430 D516 I528 R531

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:8g0u, PDBe:8g0u, PDBj:8g0u
• PDBsum: 8g0u
• UniProt: J9VFT1