Structure of PDB 8u2t Chain A

Receptor sequence

>8u2tA (length=661) Species: 5671 (Leishmania infantum)

DSNVVEPTEANGKKSHVGPHLGSRMRIYEYSIEHNDAFWAEIARRDFYWK
TTWPDDQHVKSYNFDKSKGPIFVKWFEGAVTNVCYNALDRHLPAHKDRVC
FYFEGNDPSVTEAVTYGSMYTRVVELANVLKYQYGIAKGDRVGLYLPMIP
FAAVAMLACARIGAVITVIFGGFSAQALSSRLKDAQTKLLITADASARGT
KPIPLKDVADEALKECEEEGMSIACLVAENMSCKMKEGRDTWYGDALARL
TPEQHEECPVEWMDAEDVLFLLYTSGSTGKPKAIVHTTAGYMVYASTTFM
YSFDYHMDDVYFCTADIGWITGHSYVVYGPMIHCATSVLFEGVPNYPDYS
RWWQLVEKYKVSILYTAPTAIRSLMQAGDDYVKVGNRSTLRVLGSVGEPI
NVEAWKWLRDVGGEGHCDVSDTWWQTETGGHMITPMPGCTPMKPGSATLP
FFGVQPVILDPMKLHEKQGPAEGLLAIRAPWPGMARTIYGDHARFEKTYF
GVDGYYMTGDGARRDSDGYYWITGRVDDVLNVSGHRIGTSEIEDAVNTHP
AVVESAVVGFPHNIKGEGIYVFLTFRQGTEVTPELLAAVKATVRKVIGPL
ATPDVMQVARVGLPKTRSGKIVRRILRKVSAGQYTELGDTSTLANPDVVE
DLIAEHQRLCS

3D structure

• PDB: 8u2t Crystal Structure of Acetyl-coenzyme A synthetase from Leishmania infantum (CoA and AMP bound)
• Chain: A
• Resolution: 1.65 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	AMP	A	G439 E440 P441 T464 W465 W466 Q467 T468 D552 R567 R578	G397 E398 P399 T422 W423 W424 Q425 T426 D510 R525 R536
BS02	COA	A	F209 G210 G211 R237 K240 I242 R636 P641	F170 G171 G172 R198 K201 I203 R594 P599

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

External links

• PDB: RCSB:8u2t, PDBe:8u2t, PDBj:8u2t
• PDBsum: 8u2t
• UniProt: A4I093