Structure of PDB 8j8f Chain A Binding Site BS05

Receptor Information
>8j8f Chain A (length=1005) Species: 10244 (Monkeypox virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMDVRCINWFESHGENRFLYLKSRCRNGETVFIRFPHYFYYVVTDEIYQS
LSPPPFNARPMGKMRTIDIDETISYNLDIKDRKCSVADMWLIEEPKKRSI
QNATMDEFFNISWFYISNGISPDGCYSLDEQYLTKINNGCYHCDDPRNCF
AKEIPRFDIPRSYLFLDIECHFDKKFPSVFINPISHTSYCYIDLSGKRLL
FTLINEEMLTEQEIQEAVDRGCLRIQSLMEMDYERELVLCSEIVLLRIAK
QLLELTFDYVVTFNGHNFDLRYITNRLELLTGEKIIFRSPDKKEAVHLCI
YERNQSSHKGVCGMANTTFHVNNNNGTIFFDLYSFIQKSEKLDSYKLDSI
SKNAFSCMGKVLNRGVREMTFIGDDTTDAKGKADTFAKVLTTGNYVTVDE
DIICKVIRKDILENGFKVVLSCPTLPNDIYKLSFGKDDIDLAQMYKDYNL
NIALDMARYCIHDACLCQYLWEYYGVETKTDAGAATYVLPQSMVFEYRAS
TIIKGPLLKLLLETKTILVRSETKQKFPYEGGKVFAPKQKMFSNNVLIFD
YNSLYPNVCIFGNLSPETLVGVVVSTNRLEEEINNQLLLQKYPPPRYITV
HCEPRLPNLISEIAIFDRSIEGTIPRLLRTFLAERARYKKMLKQATSSTE
KAIYDSMQYTYKIVANSVYGLMGFRNSALYSYASAKSCTSIGRRMILYLE
SVLNGAELSNGMLRFANTLSNPFYMDDRDINPIVKTSLPIDYRFRFRSVY
GDTDSVFTEIDSQDVDKSIEIAKELERLINSRVLFNNFKIEFEAVYKNLI
MQSKKKYTTMKYSASSNSKSVPERINKGTSETRRDVSKFHKNMIKTYKTR
LSEMLSEGRMNSNQVCIDILRSLETDLRSEFDSRSSPLELFMLSRMHHSN
YKSADNPNMYLVTEYNKNNPETIELGERYYFAYICPANVPWTKKLVNIKT
YETIIDRSFKLGSNQRIFYEVYFKRLTSEIVNLLDNKVLCISFFQRMFGS
RPTFY
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain8j8f Chain A Residue 1103 [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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PDB8j8f Structural basis of human monkeypox viral DNA replication inhibition by brincidofovir and cidofovir
Resolution2.98 Å
Binding residue
(original residue number in PDB)		D166 I167 E168
Binding residue
(residue number reindexed from 1)		D167 I168 E169
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003676 nucleic acid binding
GO:0003677 DNA binding
GO:0003887 DNA-directed DNA polymerase activity
Biological Process
GO:0006260 DNA replication
GO:0006261 DNA-templated DNA replication
GO:0006310 DNA recombination
GO:0039693 viral DNA genome replication

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:8j8f, PDBe:8j8f, PDBj:8j8f
PDBsum8j8f
PubMed38735603
UniProtQ5IXW8

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