Structure of PDB 5u29 Chain B

Receptor sequence

>5u29B (length=667) Species: 235443 (Cryptococcus neoformans var. grubii H99)

HHVHPLPDSVPESEDLFAPPPRMQGKEGRPKPHIGPNYESYVKEWAKTVG
PNSDEWWAAKARETLDWYDDFKTVRAGGFEHGDVQWFPEGTLNAAYNCLD
RHYYKNPKKTAIIYEADEPSESREVSYEELMQETCRVANVLKSYGVKKGD
AVSIYLPMTWQAAAAFLACARIGAIHSAVFAGFSAESLRDRVNDCECKVL
ITTDEGRRGGKTIATKQIVDAALQQCPLVENVLVLRRTGNKVPMTEGRDK
WWDEECAKMPAYCPCERMASEDPLFILYTSGSTGKPKGVVHSTAGYLLGT
ALTLKYVFDAHPDDRFACMADIGWITGHSYIIYGPLANGITTAVFESTPV
YPTPSRYWDFVDKWKATQLYTAPTAIRLLRRMGEDHVKNHDLSSLRVLGS
VGEPINPEAWHWYNDFAGKNQCAIVDTYWMTETGSISIAPLPGAISTKPG
SATFPFFGMDVDIIDPQTGQVLEGNDVEGVLVARRPWPSIARTVYRDHKR
YLETYMKPYPGYFFFGDGAARDYDGYMWIKGRVDDVINVSGHRLSTAEVE
SALILHKGVAETAVVGCADDLTGQAVYAFVTMKPEFDLKATKEADLSKEL
AIQVRKVIGPFAAPKKIYLVSDLPKTRSGKIMRRVLRKIVAGEGDQLGDL
SSIADPQIVEEVKQKVT

3D structure

• PDB: 5u29 Crystal structure of Cryptococcus neoformans H99 Acetyl-CoA Synthetase in complex with Ac-AMS
• Chain: B
• Resolution: 2.5 Å

Enzymatic activity

• Catalytic site (original residue number in PDB): T289 T441 E442 N548 R553 K640
• Catalytic site (residue number reindexed from 1): T279 T431 E432 N538 R543 K630
• 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	7RM	B	W334 I335 G412 E413 P414 T437 Y438 W439 M440 T441 D527 I539 R542	W324 I325 G402 E403 P404 T427 Y428 W429 M430 T431 D517 I529 R532

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:5u29, PDBe:5u29, PDBj:5u29
• PDBsum: 5u29
• UniProt: J9VFT1