Structure of PDB 8exx Chain A Binding Site BS03

Receptor Information

>8exx Chain A (length=1088) Species: 10306 (Human alphaherpesvirus 1 strain KOS)

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 ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 8exx Chain A Residue 1301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8exx Viral DNA polymerase structures reveal mechanisms of antiviral drug resistance.
• Resolution: 3.3 Å
• Binding residue (original residue number in PDB): D717 D888
• Binding residue (residue number reindexed from 1): D613 D784
• Annotation score: 1

External links

• PDB: RCSB:8exx, PDBe:8exx, PDBj:8exx
• PDBsum: 8exx
• PubMed: 39197451
• UniProt: H9E937