Structure of PDB 8qd0 Chain A Binding Site BS01

Receptor Information
>8qd0 Chain A (length=422) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IKVSRRRWAVVLVFSCYSMCNSFQWIQYGSINNIFMHFYGVSAFAIDWLS
MCYMLTYIPLLLPVAWLLEKFGLRTIALTGSALNCLGAWVKLGSLKPHLF
PVTVVGQLICSVAQVFILGMPSRIASVWFGANEVSTACSVAVFGNQLGIA
IGFLVPPVLVPNIEDRDELAYHISIMFYIIGGVATLLLILVIIVFKEKPK
YPPSRAQSLSYALTASYLGSIARLFKNLNFVLLVITYGLNAGAFYALSTL
LNRMVIWHYPGEEVNAGRIGLTIVIAGMLGAVISGIWLDRSKTYKETTLV
VYIMTLVGMVVYTFTLNLGHLWVVFITAGTMGFFMTGYLPLGFEFAVELT
YPESEGISSGLLNISAQVFGIIFTISQGQIIDNYGTKPGNIFLCVFLTLG
AALTAFIKADLRRQKANKETLE
Ligand information
Ligand IDCHT
InChIInChI=1S/C5H14NO/c1-6(2,3)4-5-7/h7H,4-5H2,1-3H3/q+1
InChIKeyOEYIOHPDSNJKLS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		C[N+](C)(C)CCO
ACDLabs 10.04OCC[N+](C)(C)C
FormulaC5 H14 N O
NameCHOLINE ION
ChEMBLCHEMBL920
DrugBankDB00122
ZINCZINC000003079337
PDB chain8qd0 Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8qd0 Cryo-EM structure of the inward-facing choline-bound FLVCR2
Resolution2.8 Å
Binding residue
(original residue number in PDB)		W102 M131 Q191 Y325 Q447
Binding residue
(residue number reindexed from 1)		W25 M54 Q114 Y245 Q367
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0015220 choline transmembrane transporter activity
GO:0015232 heme transmembrane transporter activity
GO:0020037 heme binding
GO:0022857 transmembrane transporter activity
GO:0034228 ethanolamine transmembrane transporter activity
Biological Process
GO:0015871 choline transport
GO:0034229 ethanolamine transport
GO:0055085 transmembrane transport
GO:0097037 heme export
GO:0150104 transport across blood-brain barrier
Cellular Component
GO:0005739 mitochondrion
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0031966 mitochondrial membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8qd0, PDBe:8qd0, PDBj:8qd0
PDBsum8qd0
PubMed38778100
UniProtQ9UPI3|FLVC2_HUMAN Heme transporter FLVCR2 (Gene Name=FLVCR2)

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