Structure of PDB 3zda Chain A Binding Site BS03

Receptor Information
>3zda Chain A (length=247) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AVHLLIVDALNLIRRIHAVQGSPCVETCQHALDQLIMHSQPTHAVAVFDD
RSSGWRHQRLPDYKAGRPPMPEELHDEMPALRAAFEQRGVPCWSTSGNEA
DDLAATLAVKVTQAGHQATIVSTDKGYCQLLSPTLRIRDYFQKRWLDAPF
IDKEFGVQPQQLPDYWGLAGISSSKVPGVAGIGPKSATQLLVEFQSLEGI
YENLDAVAEKWRKKLETHKEMAFLCRDIARLQTDLHIDGNLQQLRLV
Ligand information
Ligand IDPIV
InChIInChI=1S/C5H10O2/c1-5(2,3)4(6)7/h1-3H3,(H,6,7)
InChIKeyIUGYQRQAERSCNH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341CC(C)(C)C(O)=O
OpenEye OEToolkits 1.5.0CC(C)(C)C(=O)O
ACDLabs 10.04O=C(O)C(C)(C)C
FormulaC5 H10 O2
NamePIVALIC ACID
ChEMBLCHEMBL322719
DrugBank
ZINCZINC000000007993
PDB chain3zda Chain A Residue 1253 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3zda The Structure of E. Coli Exoix - Implications for DNA Binding and Catalysis in Flap Endonucleases
Resolution1.5 Å
Binding residue
(original residue number in PDB)		Q35 L36 H39 R141 Y143 K146
Binding residue
(residue number reindexed from 1)		Q34 L35 H38 R138 Y140 K143
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003677 DNA binding
GO:0003824 catalytic activity
GO:0004519 endonuclease activity
GO:0008409 5'-3' exonuclease activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0017108 5'-flap endonuclease activity
GO:0030955 potassium ion binding
GO:0046872 metal ion binding
GO:0048256 flap endonuclease activity
Biological Process
GO:0033567 DNA replication, Okazaki fragment processing

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Molecular Function
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Biological Process
External links
PDB RCSB:3zda, PDBe:3zda, PDBj:3zda
PDBsum3zda
PubMed23821668
UniProtQ8X6R9|XNI_ECO57 Flap endonuclease Xni (Gene Name=xni)

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