Structure of PDB 8ilh Chain D Binding Site BS04

Receptor Information
>8ilh Chain D (length=177) Species: 10498 (African swine fever virus BA71V) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GGGMLTLIQGKKIVNHLRSRLAFEYNGQLIKILSKNIVAVGSLRREEKML
NDVDLLIIVPEKKLLKHVLPNIRIKGLSFSVKVCGERKCVLFIEWEKKTY
QLDLFTALAEEKPYAIFHFTGPVSYLIRIRAALKKKNYKLNQYGLFKNQT
LVPLKITTEKELIKELGFTYRIPKKRL
Ligand information
Ligand IDGMS
InChIInChI=1S/C10H14N5O6PSe/c11-10-13-8-7(9(17)14-10)12-3-15(8)6-1-4(16)5(21-6)2-20-22(18,19)23/h3-6,16H,1-2H2,(H2,18,19,23)(H3,11,13,14,17)/t4-,5+,6+/m0/s1
InChIKeyMMKHSOCVUGNOOR-KVQBGUIXSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.5c1nc2c(n1[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)[SeH])O)N=C(NC2=O)N
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[C@H]3C[C@H](O)[C@@H](CO[P](O)([SeH])=O)O3
CACTVS 3.385NC1=Nc2n(cnc2C(=O)N1)[CH]3C[CH](O)[CH](CO[P](O)([SeH])=O)O3
ACDLabs 10.04O=P(O)([SeH])OCC3OC(n2cnc1c2N=C(N)NC1=O)CC3O
OpenEye OEToolkits 1.7.5c1nc2c(n1C3CC(C(O3)COP(=O)(O)[SeH])O)N=C(NC2=O)N
FormulaC10 H14 N5 O6 P Se
Name2'-DEOXYGUANOSINE-5'-MONOSELENOPHOSPHATE
ChEMBL
DrugBank
ZINC
PDB chain8ilh Chain H Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ilh Structural Insight into Polymerase Mechanism via a Chiral Center Generated with a Single Selenium Atom.
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D49 D51 H115 F116 V120 L123
Binding residue
(residue number reindexed from 1)		D52 D54 H118 F119 V123 L126
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003887 DNA-directed DNA polymerase activity
GO:0016779 nucleotidyltransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0006259 DNA metabolic process
GO:0006281 DNA repair
GO:0006303 double-strand break repair via nonhomologous end joining
GO:0071897 DNA biosynthetic process
Cellular Component
GO:0044423 virion component

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8ilh, PDBe:8ilh, PDBj:8ilh
PDBsum8ilh
PubMed37958741
UniProtP42494|DPOLX_ASFB7 Repair DNA polymerase X (Gene Name=Ba71V-97)

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