Structure of PDB 8x5f Chain A Binding Site BS05

Receptor Information
>8x5f Chain A (length=616) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKFAEHLSAHITPEWRKQYIQYEAFKDMLYSAQDQAPSVEVTDEDTVKRY
FAKFEEKFFQTCEKELAKINTFYSEKLAEAQRRFATLQNELQSSLDAQKE
STGSHEERVQHRNIKDLKLAFSEFYLSLILLQNYQNLNFTGFRKILKKHD
KILETSRGADWRVAHVEVAPFYTCKKINQLISETEAVVTNELEDGDRQKA
MKRLRVPPLGAAQPAPAWTTFRVGLFCGIFIVLNITLVLAAVFKLETDRS
IWPLIRIYRGGFLLIEFLFLLGINTYGWRQAGVNHVLIFELNPRSNLSHQ
HLFEIAGFLGILWCLSLLACFFAPISVIPTYVYPLALYGFMVFFLINPTK
TFYYKSRFWLLKLLFRVFTAPFHKVGFADFWLADQLNSLSVILMDLEYMI
CFYSLELKWDESKGLLPSGICHKYTYGVRAIVQCIPAWLRFIQCLRRYRD
TKRAFPHLVNAGKYSTTFFMVTFAALYSTHKERGHSDTMVFFYLWIVFYI
ISSCYTLIWDLKMDWGLFDKNAGENTFLREEIVYPQKAYYYCAIIEDVIL
RFAWTIQISITSTTLLPHSGDIIATVFAPLEVFRRFVWNFFRLENEHLNN
CGEFRAVRDISVAPLN
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 chain8x5f Chain A Residue 705 [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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PDB8x5f structure of transport at 2.9 Angstroms resolution
Resolution2.96 Å
Binding residue
(original residue number in PDB)		M1 K2 K158 K161 K165
Binding residue
(residue number reindexed from 1)		M1 K2 K144 K147 K151
Annotation score1
Gene Ontology
Molecular Function
GO:0000822 inositol hexakisphosphate binding
GO:0001618 virus receptor activity
GO:0005315 phosphate transmembrane transporter activity
GO:0015562 efflux transmembrane transporter activity
Biological Process
GO:0006817 phosphate ion transport
GO:0009615 response to virus
GO:0016036 cellular response to phosphate starvation
GO:0030643 intracellular phosphate ion homeostasis
GO:0035435 phosphate ion transmembrane transport
GO:0046718 symbiont entry into host cell
Cellular Component
GO:0005737 cytoplasm
GO:0005794 Golgi apparatus
GO:0005886 plasma membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8x5f, PDBe:8x5f, PDBj:8x5f
PDBsum8x5f
PubMed39169184
UniProtQ9UBH6|S53A1_HUMAN Solute carrier family 53 member 1 (Gene Name=XPR1)

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