Structure of PDB 8ubx Chain A Binding Site BS02

Receptor Information
>8ubx Chain A (length=419) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLPLTALSPRRFVVLLIFSLYSLVNAFQWIQYSIISNVFEGFYGVTLLHI
DWLSMVYMLAYVPLIFPATWLLDTRGLRLTALLGSGLNCLGAWIKCGSVQ
QHLFWVTMLGQCLCSVAQVFILGLPSRIASVWFGPKEVSTACATAVLGNQ
LGTAVGFLLPPVLVPNTQNDTNLLACNISTMFYGTSAVATLLFILTAIAF
KEKPRYPPSQAQAALQDSPPEEYSYKKSIRNLFKNIPFVLLLITYGIMTG
AFYSVSTLLNQMILTYYEGEEVNAGRIGLTLVVAGMVGSILCGLWLDYTK
TYKQTTLIVYILSFIGMVIFTFTLDLRYIIIVFVTGGVLGFFMTGYLPLG
FEFAVEITYPESEGTSSGLLNASAQIFGILFTLAQGKLTSDYGPKAGNIF
LCVWMFIGIILTALIKSDL
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 chain8ubx 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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PDB8ubx Structural basis of lipid head group entry to the Kennedy pathway by FLVCR1
Resolution2.5 Å
Binding residue
(original residue number in PDB)		Y488 A492 I495 F496 W500
Binding residue
(residue number reindexed from 1)		Y392 A396 I399 F400 W404
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
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Cellular Component
External links
PDB RCSB:8ubx, PDBe:8ubx, PDBj:8ubx
PDBsum8ubx
PubMed38693265
UniProtQ9Y5Y0|FLVC1_HUMAN Heme transporter FLVCR1 (Gene Name=FLVCR1)

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