Structure of PDB 8exx Chain A Binding Site BS05

Receptor Information
>8exx Chain A (length=1088) Species: 10306 (Human alphaherpesvirus 1 strain KOS) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPTQRHTYYSECDEFRFIAPRVLDEDAPPEKRAGVHDGHLKRAPKVYCGG
DERDVLRVGSGGFWPRRSRLWGGVDHAPAGFNPTVTVFHVYDILENVEHA
YGMRAAQFHARFMDAITPTGTVITLLGLTPEGHRVAVHVYGTRQYFYMNK
EEVDRHLQDLCERMAAALRESPGASFRGISADHFEAEVVERTDVYYYETR
PALFYRVYVRSGRVLSYLCDNFCPAIKKYEGGVDATTRFILDNPGFVTFG
WYRLKPGRNNTLAQPRAPMAFGTSSDVEFNCTADNLAIEGGMSDLPAYKL
MCFDIECKAGGEDELAFPVAGHPEDLVIQISCLLYDLSTTALEHVLLFSL
GSCDLPESHLNELAARGLPTPVVLEFDSEFEMLLAFMTLVKQYGPEFVTG
YNIINFDWPFLLAKLTDIYKVPLDGYGRMNGRGVFRVWDIGQSHFQKRSK
IKVNGMVNIDMYGIITDKIKLSSYKLNAVAEAVLKDKKKDLSYRDIPAYY
ATGPAQRGVIGEYCIQDSLLVGQLFFKFLPHLELSAVARLAGINITRTIY
DGQQIRVFTCLLRLADQKGFILPDTQGRFRGAGGEAGRHVGYQGARVLDP
TSGFHVNPVVVFDFASLYPSIIQAHNLCFSTLSLRADAVAHLEAGKDYLE
IEVGGRRLFFVKAHVRESLLSILLRDWLAMRKQIRSRIPQSSPEEAVLLD
KQQAAIKVVCNSVYGFTGVQHGLLPCLHVAATVTTIGREMLLATREYVHA
RWAAFEQLLADFPEAADMRAPGPYSMRIIYGDTDSIFVLCRGLTAAGLTA
MGDKMASHISRALFLPPIKLECEKTFTKLLLIAKKKYIGVIYGGKMLIKG
VDLVRKNNCAFINRTSRALVDLLFYDDTVSGAAAALAERPAEEWLARPLP
EGLQAFGAVLVDAHRRITDPERDIQDFVLTAELSRHPRAYTNKRLAHLTV
YYKLMARRAQVPSIKDRIPYVIVAQTREVEETVARLARKLLVSELAEDPA
YAIAHGVALNTDYYFSHLLGAACVTFKALFGNNAKITESLLKRFIPEVWH
PPDDVAARLRAAGFGAVGAGATAEETRRMLHRAFDTLA
Ligand information
Ligand IDPPF
InChIInChI=1S/CH3O5P/c2-1(3)7(4,5)6/h(H,2,3)(H2,4,5,6)
InChIKeyZJAOAACCNHFJAH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341OC(=O)[P](O)(O)=O
ACDLabs 10.04O=C(O)P(=O)(O)O
OpenEye OEToolkits 1.5.0C(=O)(O)P(=O)(O)O
FormulaC H3 O5 P
NamePHOSPHONOFORMIC ACID
ChEMBLCHEMBL666
DrugBankDB00529
ZINCZINC000008101109
PDB chain8exx Chain A Residue 1304 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8exx Viral DNA polymerase structures reveal mechanisms of antiviral drug resistance.
Resolution3.3 Å
Binding residue
(original residue number in PDB)		D717 S720 R785 R789
Binding residue
(residue number reindexed from 1)		D613 S616 R681 R685
Annotation score1
External links