Structure of PDB 8fil Chain A Binding Site BS02

Receptor Information
>8fil Chain A (length=183) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RHLMDPHIFTSNFNNGIGRHKTYLCYEVERLSVKMDQHRGFLHNQAKNLL
CGFYGRHAALRFLDLVPSLQLDPAQIYRVTWFISWSPCFSWGCAGEVRAF
LQENTHVRLRIFAARIYDYDPLYKEALQMLRDAGAQVSIMTYDEFKHCWD
TFVDHQGCPFQPWDGLDEHSQALSGRLRAILQN
Ligand information
Ligand IDIHP
InChIInChI=1S/C6H18O24P6/c7-31(8,9)25-1-2(26-32(10,11)12)4(28-34(16,17)18)6(30-36(22,23)24)5(29-35(19,20)21)3(1)27-33(13,14)15/h1-6H,(H2,7,8,9)(H2,10,11,12)(H2,13,14,15)(H2,16,17,18)(H2,19,20,21)(H2,22,23,24)/t1-,2-,3-,4+,5-,6-
InChIKeyIMQLKJBTEOYOSI-GPIVLXJGSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O[P](O)(=O)O[CH]1[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O[P](O)(O)=O
ACDLabs 12.01
OpenEye OEToolkits 2.0.7		C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O)OP(=O)(O)O
CACTVS 3.385O[P](O)(=O)O[C@@H]1[C@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O[P](O)(O)=O
FormulaC6 H18 O24 P6
NameINOSITOL HEXAKISPHOSPHATE;
MYO-INOSITOL HEXAKISPHOSPHATE;
INOSITOL 1,2,3,4,5,6-HEXAKISPHOSPHATE
ChEMBLCHEMBL1233511
DrugBankDB14981
ZINCZINC000169289809
PDB chain8fil Chain A Residue 201 [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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PDB8fil DNA-based inhibitors restrict mutagenic activity of APOBEC3 in cells
Resolution2.01 Å
Binding residue
(original residue number in PDB)		K159 H160 D163
Binding residue
(residue number reindexed from 1)		K146 H147 D150
Annotation score1
Enzymatic activity
Enzyme Commision number 3.5.4.38: single-stranded DNA cytosine deaminase.
Gene Ontology
Molecular Function
GO:0003723 RNA binding
GO:0003824 catalytic activity
GO:0004126 cytidine deaminase activity
GO:0005515 protein binding
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0010526 retrotransposon silencing
GO:0016554 cytidine to uridine editing
GO:0044029 positive regulation of gene expression via chromosomal CpG island demethylation
GO:0044355 clearance of foreign intracellular DNA
GO:0045071 negative regulation of viral genome replication
GO:0045087 innate immune response
GO:0045869 negative regulation of single stranded viral RNA replication via double stranded DNA intermediate
GO:0051607 defense response to virus
GO:0070383 DNA cytosine deamination
Cellular Component
GO:0000932 P-body
GO:0005634 nucleus
GO:0005654 nucleoplasm
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8fil, PDBe:8fil, PDBj:8fil
PDBsum8fil
PubMed37821454
UniProtP31941|ABC3A_HUMAN DNA dC->dU-editing enzyme APOBEC-3A (Gene Name=APOBEC3A)

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