Structure of PDB 8v1q Chain A Binding Site BS03

Receptor Information

>8v1q Chain A (length=1097) Species: 10306 (Human alphaherpesvirus 1 strain KOS)

GPTQRHTYYSECDEFRFIAPRVLDEDAPPEKRAGVHDGHLKRAPKVYCGG
DERDVLRVGSGGFWPRRSRLWGGVDHAPAGFNPTVTVFHVYDILENVEHA
YGMRAAQFHARFMDAITPTGTVITLLGLTPEGHRVAVHVYGTRQYFYMNK
EEVDRHLQCRAPRDLCERMAAALRESPGASFRGISADHFEAEVVERTDVY
YYETRPALFYRVYVRSGRVLSYLCDNFCPAIKKYEGGVDATTRFILDNPG
FVTFGWYRLKPGRNNTLAQPRAPMAFGTSSDVEFNCTADNLAIEGGMSDL
PAYKLMCFDIECKAGGEDELAFPVAGHPEDLVIQISCLLYDLSTTALEHV
LLFSLGSCDLPESHLNELAARGLPTPVVLEFDSEFEMLLAFMTLVKQYGP
EFVTGYNIINFDWPFLLAKLTDIYKVPLDGYGRMNGRGVFRVWDIGQSHF
QKRSKIKVNGMVNIDMYGIITDKIKLSSYKLNAVAEAVLKDKKKDLSYRD
IPAYYATGPAQRGVIGEYCIQDSLLVGQLFFKFLPHLELSAVARLAGINI
TRTIYDGQQIRVFTCLLRLADQKGFILPDTQGRFRGAGRHVGYQGARVLD
PTSGFHVNPVVVFDFASLYPSIIQAHNLCFSTLSLRADAVAHLEAGKDYL
EIEVGGRRLFFVKAHVRESLLSILLRDWLAMRKQIRSRIPQSSPEEAVLL
DKQQAAIKVVCNSVYGFTGVQHGLLPCLHVAATVTTIGREMLLATREYVH
ARWAAFEQLLADFPEAADMRAPGPYSMRIIYGDTDSIFVLCRGLTAAGLT
AMGDKMASHISRALFLPPIKLECEKTFTKLLLIAKKKYIGVIYGGKMLIK
GVDLVRKNNCAFINRTSRALVDLLFYDDTVSGAAAALAERPAEEWLARPL
PEGLQAFGAVLVDAHRRITDPERDIQDFVLTAELSRHPRAYTNKRLAHLT
VYYKLMARRAQVPSIKDRIPYVIVAQTREVEETVARLAALRELDAPRKLL
VSELAEDPAYAIAHGVALNTDYYFSHLLGAACVTFKALFGNNAKITESLL
KRFIPEVWHPPDDVAARLRAAGFGAVGAGATAEETRRMLHRAFDTLA

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: 8v1q Chain A Residue 1302

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8v1q Viral DNA polymerase structures reveal mechanisms of antiviral drug resistance.
• Resolution: 2.7 Å
• Binding residue (original residue number in PDB): D368 G464 Y465
• Binding residue (residue number reindexed from 1): D309 G405 Y406
• Annotation score: 1

External links

• PDB: RCSB:8v1q, PDBe:8v1q, PDBj:8v1q
• PDBsum: 8v1q
• PubMed: 39197451
• UniProt: H9E937