Structure of PDB 4i5w Chain A Binding Site BS01

Receptor Information
>4i5w Chain A (length=292) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIEENLKQKIHDKFVAAKKNGHLKVTHAESKKLKDPQTTTQYWVTFAPSL
ALDPFANPDEELVVTEDLNGDGEYKLLLNKFPVVPEHSLLVTSEFKDQRS
ALTPSDLMTAYNVLCSLQGCERYLVFYNCGPHSGSSQDHKHLQIMQMPEK
FIPFQDVLCNGKDHFLPTFNAEPLQDDKVSFAHFVLPLPESSDQVDEDLL
AMCYVSLMQRALTFFQDLTKSYNVLLTKKWICVVPRSHAKSGPPLMLNIN
STGYCGMILVKDREKLENLTEDPHLVDKSLLQCGFPNTAGQK
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain4i5w Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4i5w Structures of yeast Apa2 reveal catalytic insights into a canonical AP4A phosphorylase of the histidine triad superfamily
Resolution2.793 Å
Binding residue
(original residue number in PDB)		H152 H265 A266
Binding residue
(residue number reindexed from 1)		H132 H238 A239
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.5: sulfate adenylyltransferase (ADP).
2.7.7.53: ATP adenylyltransferase.
Gene Ontology
Molecular Function
GO:0003877 ATP:ADP adenylyltransferase activity
GO:0004780 sulfate adenylyltransferase (ADP) activity
GO:0005524 ATP binding
GO:0008796 bis(5'-nucleosyl)-tetraphosphatase activity
GO:0016779 nucleotidyltransferase activity
GO:0016787 hydrolase activity
GO:0033699 DNA 5'-adenosine monophosphate hydrolase activity
Biological Process
GO:0009117 nucleotide metabolic process
GO:0009164 nucleoside catabolic process
GO:0009165 nucleotide biosynthetic process
Cellular Component
GO:0005634 nucleus
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4i5w, PDBe:4i5w, PDBj:4i5w
PDBsum4i5w
PubMed23628156
UniProtP22108|APA2_YEAST Diadenosine 5',5'''-P1,P4-tetraphosphate phosphorylase 2 (Gene Name=APA2)

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