Structure of PDB 8g0t Chain A

Receptor sequence

>8g0tA (length=656) Species: 5207 (Cryptococcus neoformans)

HHVHPLPDSVPESEDLFAPPPRMQGKEGRPKPHIGPNYESYVKEWAKTVG
PNSDEWWAAKARETLDWYDDFKTVRAGGFEHGDVQWFPEGTLNAAYNCLD
RHYYKNPKKTAIIYEADEPSESREVSYEELMQETCRVANVLKSYGVKKGD
AVSIYLPMTWQAAAAFLACARIGAIHSAVFAGFSAESLRDRVNDCECKVL
ITTDEGRRGGKTIATKQIVDAALQQCPLVENVLVLRRTGNKVPMTEGRDK
WWDEECAKMPAYCPCERMASEDPLFILYTSGKPKGVVHSTAGYLLGTALT
LKYVFDAHPDDRFACMADIGWITGHSYIIYGPLANGITTAVFESTPVYPT
PSRYWDFVDKWKATQLYTAPTAIRLLRRMGEDHVKNHDLSSLRVLGSVGE
PINPEAWHWYNDFAGKNQCAIVDTYWMTETGSISIAPLPGAISTKPGSAT
FPFFGMDVDIIDPQTGQVLEGNDVEGVLVARRPWPSIARTVYRDHKRYLE
TYMKPYPGYFFFGDGAARDYDGYMWIKGRVDDVINVSGHRLSTAEVESAL
ILHKGVAETAVVGCADDLTGQAVYAFVTMKPEFDLKATKEADLSKELAIQ
VRKVIGPFAAPKKIYLVSDLPKTRSGKIMRRVLRKIVAGEGIADPQIVEE
VKQKVT

3D structure

• PDB: 8g0t Crystal Structure of Acetyl-CoA synthetase in complex with a cyclopropyl ester AMP inhibitor from Cryptococcus neoformans H99
• Chain: A
• Resolution: 2.45 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	YHK	A	W334 I335 G412 E413 P414 D436 T437 Y438 W439 M440 T441 D527 R542 K640	W321 I322 G399 E400 P401 D423 T424 Y425 W426 M427 T428 D514 R529 K627

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:8g0t, PDBe:8g0t, PDBj:8g0t
• PDBsum: 8g0t
• UniProt: J9VFT1