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BioLiP

Structure of PDB 8x5b Chain F Binding Site BS03

Receptor Information
>8x5b Chain F (length=393) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APAWTTFRVGLFCGIFIVLNITLVLAAVFKLETDRSIWPLIRIYRGGFLL
IEFLFLLGINTYGWRQAGVNHVLIFELNPRSNLSHQHLFEIAGFLGILWC
LSLLACFFAPISVIPTYVYPLALYGFMVFFLINPTKTFYYKSRFWLLKLL
FRVFTAPFHKVGFADFWLADQLNSLSVILMDLEYMICFYSLELKWDESKG
LLPSGICHKYTYGVRAIVQCIPAWLRFIQCLRRYRDTKRAFPHLVNAGKY
STTFFMVTFAALYSTHKERGHSDTMVFFYLWIVFYIISSCYTLIWDLKMD
WGLFDKNAGENTFLREEIVYPQKAYYYCAIIEDVILRFAWTIQISITSTT
LLPHSGDIIATVFAPLEVFRRFVWNFFRLENEHLNNCGEFRAV
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain8x5b Chain F Residue 703 [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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PDB8x5b STRUCTURE OF TRANSPORT
Resolution2.84 Å
Binding residue
(original residue number in PDB)		R270 R273 M408 D409 R448
Binding residue
(residue number reindexed from 1)		R42 R45 M180 D181 R215
Annotation score1
External links
PDB RCSB:8x5b, PDBe:8x5b, PDBj:8x5b
PDBsum8x5b
PubMed39169184
UniProtQ9UBH6|S53A1_HUMAN Solute carrier family 53 member 1 (Gene Name=XPR1)

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