Structure of PDB 5dw4 Chain A Binding Site BS01

Receptor Information
>5dw4 Chain A (length=512) Species: 1457393 (Acetobacter aceti 1023) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ERIRNVALRSKVCPAETASELIKHGDVVGTSGFTGAGYPKEVPKALAQRM
EAAHDRGEKYQISLITGASTGPQLDGELAKANGVYFRSPFNTDATMRNRI
NAGETEYFDNHLGQVAGRAVQGNYGKFNIALVEATAITEDGGIVPTSSVG
NSQTFLNLAEKVIIEVNEWQNPMLEGIHDIWDGNVSGVPTRDIVPIVRAD
QRVGGPVLRVNPDKIAAIVRTNDRDRNAPFAAPDETAKAIAGYLLDFFGH
EVKQNRLPPSLLPLQSGVGNVANAVLEGLKEGPFENLVGYSEVIQDGMLA
MLDSGRMRIASASSFSLSPEAAEEINNRMDFFRSKIILRQQDVSNSPGII
RRLGCIAMNGMIEADIYGNVNSTRVMGSKMMNGIGGSGDFARSSYLSIFL
SPSTAKGGKISAIVPMAAHVDHIMQDAQIFVTEQGLADLRGLSPVQRARE
IISKCAHPDYRPMLQDYFDRALKNSFGKHTPHLLTEALSWHQRFIDTGTM
LPSSLEHHHHHH
Ligand information
Ligand IDACT
InChIInChI=1S/C2H4O2/c1-2(3)4/h1H3,(H,3,4)/p-1
InChIKeyQTBSBXVTEAMEQO-UHFFFAOYSA-M
SMILES
SoftwareSMILES
ACDLabs 10.04[O-]C(=O)C
OpenEye OEToolkits 1.5.0CC(=O)[O-]
CACTVS 3.341CC([O-])=O
FormulaC2 H3 O2
NameACETATE ION
ChEMBL
DrugBankDB14511
ZINC
PDB chain5dw4 Chain A Residue 606 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5dw4 Functional Dissection of the Bipartite Active Site of the Class I Coenzyme A (CoA)-Transferase Succinyl-CoA:Acetate CoA-Transferase.
Resolution1.622 Å
Binding residue
(original residue number in PDB)		T36 S71 T94 R228
Binding residue
(residue number reindexed from 1)		T34 S69 T92 R226
Annotation score5
Enzymatic activity
Enzyme Commision number 2.8.3.18: succinyl-CoA:acetate CoA-transferase.
Gene Ontology
Molecular Function
GO:0003986 acetyl-CoA hydrolase activity
GO:0008410 CoA-transferase activity
GO:0008775 acetate CoA-transferase activity
GO:0016740 transferase activity
Biological Process
GO:0006083 acetate metabolic process
GO:0006084 acetyl-CoA metabolic process
GO:0006085 acetyl-CoA biosynthetic process
GO:0019427 acetyl-CoA biosynthetic process from acetate
GO:0045733 acetate catabolic process
GO:1901289 succinyl-CoA catabolic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5dw4, PDBe:5dw4, PDBj:5dw4
PDBsum5dw4
PubMed27242998
UniProtB3EY95|SCACT_ACEAC Succinyl-CoA:acetate CoA-transferase

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