Structure of PDB 8w0b Chain A

Receptor sequence
>8w0bA (length=667) Species: 5476 (Candida albicans) [Search protein sequence]
EQTHNVVHEANGVKLRETPKEFFERQPNKGHIHDVNQYKQMYEQSIKDPQ
GFFGPLAKELLSWDHDFHTVKSGTLKNGDAAWFLGGELNASYNCVDRHAF
ANPDKPALICEADDEKDSHILTYGDLLREVSKVAGVLQSWGIKKGDTVAV
YLPMNAQAIIAMLAIARLGAAHSVIFAGFSAGSIKDRVNDASCKALITCD
EGKRGGRTTNIKKLCDEALVDCPTVEKVLVYKRTNNPEIHLTEGRDYYWD
VETAKFPGYLPPVSVNSEDPLFLLYTSGSTGTPKGVVHSTAGYLLGAALS
TKYIFDIHPEDILFTAGDVGWITGHTYALYGPLLLGVPTIIFEGTPAYPD
YGRFWQIVEKHKATHFYVAPTALRLLRKAGEQEIAKYDLSSLRTLGSVGE
PISPDIWEWYNEFVGKNQCHISDTYWQTESGSHLIAPLAGVVPNKPGSAS
YPFFGIDAALIDPVTGVEIEGNDAEGVLAIKDHWPSMARTVYKNHTKYMD
TYMNPYPGYYFTGDGAARDHDGYYWIRGRVDDVVNVSGHRLSTAEIEAAL
IEDKKVSEAAVVGIHDDITGQAVIAYVALKEGNSDEDSEGLRKELVLQVR
KTIGPFAAPKSVIIVQDLPKTRSGKIMRRILRKVSSNEADQLGDISTLSN
PQSVEGIISAFGAQFGK
3D structure
PDB8w0b Crystal structure of Acetyl-CoA synthetase 2 from Candida albicans in complex with a cyclopropyl AMP ester inhibitor
ChainA
Resolution2.3 Å
3D
structure
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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 V416 G417 E418 P419 T442 Y443 W444 Q445 T446 D532 I544 R547 R558 V398 G399 E400 P401 T424 Y425 W426 Q427 T428 D514 I526 R529 R540
Gene Ontology
Molecular Function
GO:0003987 acetate-CoA ligase activity
GO:0005524 ATP binding
GO:0016208 AMP binding
GO:0016874 ligase activity
Biological Process
GO:0019427 acetyl-CoA biosynthetic process from acetate

View graph for
Molecular Function

View graph for
Biological Process
External links
PDB RCSB:8w0b, PDBe:8w0b, PDBj:8w0b
PDBsum8w0b
PubMed
UniProtQ8NJN3|ACS2_CANAL Acetyl-coenzyme A synthetase 2 (Gene Name=ACS2)

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