Structure of PDB 8imx Chain S Binding Site BS03

Receptor Information
>8imx Chain S (length=513) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAAGAAATHLEVARGKRAALFFAAVAIVLGLPLWWKTTETYRASLPYSQI
SGLNALQLRLMVPVTVVFTKLPFTVVHEREIPLKYKMKIKCRFQKAYRRA
LDVQEAEAMLDEPQEQAEGSLTVYVISEHSSLLPQDMMSYIGPKRTAVVR
GAFNIIGRRIVQVAQAMSLTEDVLAAALADHLPEEKRRPLKSSLGYEITF
SLLNPDPKSHDVYWDIEGAVRRYVQPFLNALGAAGNFSVDSQILYYAMLG
VNPRFDSASSSYYLDMHSLPHVINPVESRLGSSAASLYPVLNFLLYVPEL
AHSPLYIQDKDGAPVATNAFHSPRWGGIMVYNVDSKTYNASVLPVRVEVD
MVRVMEVFLAQLRLLFGIAQPQLPPKCLLSGPTSEGLMTWELDRLLWARS
VENLATATTTLTSLAQLLGKISNIVIKDDVASEVYKAVAAVQKSAEELAS
GHLASAFVASQEAVTSSELAFFDPSLLHLLYFPDDQKFAIYIPLFLPMAV
PILLSLVKIFLET
Ligand information
Ligand ID80T
InChIInChI=1S/C77H146O17P2/c1-5-9-13-17-21-25-29-33-35-39-43-47-51-55-59-63-76(81)93-72(67-87-74(79)61-57-53-49-45-41-37-31-27-23-19-15-11-7-3)69-91-95(83,84)89-65-71(78)66-90-96(85,86)92-70-73(68-88-75(80)62-58-54-50-46-42-38-32-28-24-20-16-12-8-4)94-77(82)64-60-56-52-48-44-40-36-34-30-26-22-18-14-10-6-2/h33-36,71-73,78H,5-32,37-70H2,1-4H3,(H,83,84)(H,85,86)/b35-33-,36-34-/t72-,73-/m1/s1
InChIKeyZPHFETGCGQORSL-VENCYGLXSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](O)CO[P](O)(=O)OC[CH](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(COP(=O)(O)OCC(COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCCC=CCCCCCCCC)O)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCC(=O)OC[C@@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COP(=O)(OCC(O)COP(=O)(OC[C@H](OC(=O)CCCCCCC/C=C\CCCCCCCC)COC(=O)CCCCCCCCCCCCCCC)O)O
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[C@H](O)CO[P](O)(=O)OC[C@@H](COC(=O)CCCCCCCCCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC)OC(=O)CCCCCCC\C=C/CCCCCCCC
FormulaC77 H146 O17 P2
Name[(2R)-1-hexadecanoyloxy-3-[[3-[[(2R)-3-hexadecanoyloxy-2-[(Z)-octadec-9-enoyl]oxy-propoxy]-oxidanyl-phosphoryl]oxy-2-oxidanyl-propoxy]-oxidanyl-phosphoryl]oxy-propan-2-yl] (Z)-octadec-9-enoate
ChEMBL
DrugBank
ZINC
PDB chain8imx Chain U Residue 702 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8imx Structures of substrates- and products-bound glycosylphosphatidylinositol transamidase illuminate GPI-AP biogenesis
Resolution2.85 Å
Binding residue
(original residue number in PDB)		R15 R18 L21 F22 A25
Binding residue
(residue number reindexed from 1)		R14 R17 L20 F21 A24
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005515 protein binding
Biological Process
GO:0006091 generation of precursor metabolites and energy
GO:0006506 GPI anchor biosynthetic process
GO:0008218 bioluminescence
GO:0016255 attachment of GPI anchor to protein
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane
GO:0042765 GPI-anchor transamidase complex

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8imx, PDBe:8imx, PDBj:8imx
PDBsum8imx
PubMed37684232
UniProtQ96S52|PIGS_HUMAN GPI transamidase component PIG-S (Gene Name=PIGS)

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