Structure of PDB 8ubw Chain A Binding Site BS02

Receptor Information
>8ubw Chain A (length=418) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLTALSPRRFVVLLIFSLYSLVNAFQWIQYSIISNVFEGFYGVTLLHIDW
LSMVYMLAYVPLIFPATWLLDTRGLRLTALLGSGLNCLGAWIKCGSVQQH
LFWVTMLGQCLCSVAQVFILGLPSRIASVWFGPKEVSTACATAVLGNQLG
TAVGFLLPPVLVPNTQNDTNLLACNISTMFYGTSAVATLLFILTAIAFKE
KPRYPPSQAQAALQDSPPEEYSYKKSIRNLFKNIPFVLLLITYGIMTGAF
YSVSTLLNQMILTYYEGEEVNAGRIGLTLVVAGMVGSILCGLWLDYTKTY
KQTTLIVYILSFIGMVIFTFTLDLRYIIIVFVTGGVLGFFMTGYLPLGFE
FAVEITYPESEGTSSGLLNASAQIFGILFTLAQGKLTSDYGPKAGNIFLC
VWMFIGIILTALIKSDLR
Ligand information
Ligand IDY01
InChIInChI=1S/C31H50O4/c1-20(2)7-6-8-21(3)25-11-12-26-24-10-9-22-19-23(35-29(34)14-13-28(32)33)15-17-30(22,4)27(24)16-18-31(25,26)5/h9,20-21,23-27H,6-8,10-19H2,1-5H3,(H,32,33)/t21-,23+,24+,25-,26+,27+,30+,31-/m1/s1
InChIKeyWLNARFZDISHUGS-MIXBDBMTSA-N
SMILES
SoftwareSMILES
CACTVS 3.352CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@H](CC[C@]4(C)[C@H]3CC[C@]12C)OC(=O)CCC(O)=O
OpenEye OEToolkits 1.6.1CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)OC(=O)CCC(=O)O)C)C
OpenEye OEToolkits 1.6.1CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CC=C4[C@@]3(CC[C@@H](C4)OC(=O)CCC(=O)O)C)C
CACTVS 3.352CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](CC[C]4(C)[CH]3CC[C]12C)OC(=O)CCC(O)=O
FormulaC31 H50 O4
NameCHOLESTEROL HEMISUCCINATE
ChEMBL
DrugBank
ZINCZINC000058638837
PDB chain8ubw Chain A Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ubw Structural basis of lipid head group entry to the Kennedy pathway by FLVCR1
Resolution2.59 Å
Binding residue
(original residue number in PDB)		V158 F162 K322 F329
Binding residue
(residue number reindexed from 1)		V60 F64 K224 F231
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
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:0001568 blood vessel development
GO:0001701 in utero embryonic development
GO:0006783 heme biosynthetic process
GO:0006839 mitochondrial transport
GO:0006879 intracellular iron ion homeostasis
GO:0008654 phospholipid biosynthetic process
GO:0015871 choline transport
GO:0015886 heme transport
GO:0030218 erythrocyte differentiation
GO:0034229 ethanolamine transport
GO:0035108 limb morphogenesis
GO:0035264 multicellular organism growth
GO:0042733 embryonic digit morphogenesis
GO:0043249 erythrocyte maturation
GO:0046620 regulation of organ growth
GO:0048536 spleen development
GO:0048704 embryonic skeletal system morphogenesis
GO:0055085 transmembrane transport
GO:0060323 head morphogenesis
GO:0097037 heme export
Cellular Component
GO:0005739 mitochondrion
GO:0005743 mitochondrial inner membrane
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0031966 mitochondrial membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8ubw, PDBe:8ubw, PDBj:8ubw
PDBsum8ubw
PubMed38693265
UniProtQ9Y5Y0|FLVC1_HUMAN Heme transporter FLVCR1 (Gene Name=FLVCR1)

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