Structure of PDB 6oha Chain A Binding Site BS01

Receptor Information
>6oha Chain A (length=451) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DKHGKFLVFFGTFVDTPKLGELRIREKTSVGVLNGIIRFVNRNSLDPVKD
CLDHDSSLSPEDVTVVDINNSFYFPGFVDTHNHVSQYPNVGVFGNSTLLD
WLEKYTFPIEAALANENIAREVYNKVISKTLSHGTTTVAYYNTIDLKSTK
LLAQLSSLLGQRVLVGKVCMDTNGPEYYIEDTKTSFESTVKVVKYIRETI
CDPLVNPIVTPRFAPSCSRELMQQLSKLVKDENIHVQTHLSENKEEIQWV
QDLFPECESYTDVYDKYGLLTEKTVLAHCIHLTDAEARVIKQRRCGISHC
PISNSSLTSGECRVRWLLDQGIKVGLGTDVSAGHSCSILTTGRQAFAVSR
HLAMRETDHAKLSVSECLFLATMGGAQVLRMDETLGTFDVGKQFDAQMID
TNAPGSNVDMFHWQLNPPLLTNEDIIAKWFFNGDDRNTTKVWVAGQQVYQ
I
Ligand information
Ligand IDXAN
InChIInChI=1S/C5H4N4O2/c10-4-2-3(7-1-6-2)8-5(11)9-4/h1H,(H3,6,7,8,9,10,11)
InChIKeyLRFVTYWOQMYALW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341O=C1NC(=O)c2nc[nH]c2N1
OpenEye OEToolkits 1.5.0c1[nH]c2c(n1)C(=O)NC(=O)N2
ACDLabs 10.04O=C2c1ncnc1NC(=O)N2
FormulaC5 H4 N4 O2
NameXANTHINE
ChEMBLCHEMBL1424
DrugBankDB02134
ZINCZINC000013517187
PDB chain6oha Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6oha Structural Determinants for Substrate Selectivity in Guanine Deaminase Enzymes of the Amidohydrolase Superfamily.
Resolution2.21 Å
Binding residue
(original residue number in PDB)		H102 L117 W120 R231 F232 H258 E261 H297 D348
Binding residue
(residue number reindexed from 1)		H83 L98 W101 R212 F213 H239 E242 H278 D329
Annotation score5
Enzymatic activity
Enzyme Commision number 3.5.4.3: guanine deaminase.
Gene Ontology
Molecular Function
GO:0008270 zinc ion binding
GO:0008892 guanine deaminase activity
GO:0016787 hydrolase activity
GO:0016810 hydrolase activity, acting on carbon-nitrogen (but not peptide) bonds
GO:0046872 metal ion binding
Biological Process
GO:0006147 guanine catabolic process
GO:0046098 guanine metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6oha, PDBe:6oha, PDBj:6oha
PDBsum6oha
PubMed31283204
UniProtQ07729|GUAD_YEAST Probable guanine deaminase (Gene Name=GUD1)

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