Structure of PDB 4i5w Chain A Binding Site BS02

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 IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain4i5w Chain A Residue 402 [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)		L50 N92 F94 V96 M165 T279 L286 K288
Binding residue
(residue number reindexed from 1)		L50 N79 F81 V83 M145 T252 L259 K261
Annotation score4
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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