Structure of PDB 8imy Chain S Binding Site BS03

Receptor Information
>8imy Chain S (length=498) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAAGAAATHLEVARGKRAALFFAAVAIVLGLPLWWKTTETYRASLPYSQI
SGLNALQLRLMVPVTVVKLPFTVVHEREIPLKYKMKIKCRFQKAYRRALS
VQEAEAMLDEPQEQAEGSLTVYVISESYIGPKRTAVVRGFNIIGRRIVQV
AQAMSLTEDVLAAALADHLPERRPLKSSLGYEITFSLLNPDPKSHDVYWD
IEGAVRRYVQPFLNALGAAGNFSVDSQILYYAMLGVNPRFDSASSSYYLD
MHSLPHVINPVESRLGSSAASLYPVLNFLLYVPELAHSPLYIQDKDGAPV
ATNAFHSPRWGGIMVYNVDSKTYNASVLPVRVEVDMVRVMEVFLAQLRLL
FGIAQPQLPPKCLLSGPTSEGLMTWELDRLLWARSVENLATATTTLTSLA
QLLGKISNIVIKDDVASEVYKAVAAVQKSAEELASGHLASAFVASQEAVT
SSELAFFDPSLLHLLYFPDDQKFAIYIPLFLPMAVPILLSLVKIFLET
Ligand information
Ligand ID6OU
InChIInChI=1S/C39H76NO8P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-39(42)48-37(36-47-49(43,44)46-34-33-40)35-45-38(41)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h17-18,37H,3-16,19-36,40H2,1-2H3,(H,43,44)/b18-17-/t37-/m1/s1
InChIKeyFHQVHHIBKUMWTI-OTMQOFQLSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OCCN)OC(=O)CCCCCCC\C=C/CCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OCCN)OC(=O)CCCCCCC/C=C\CCCCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
OpenEye OEToolkits 2.0.6CCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCCN)OC(=O)CCCCCCCC=CCCCCCCCC
FormulaC39 H76 N O8 P
Name[(2~{R})-1-[2-azanylethoxy(oxidanyl)phosphoryl]oxy-3-hexadecanoyloxy-propan-2-yl] (~{Z})-octadec-9-enoate
ChEMBL
DrugBank
ZINCZINC000008437520
PDB chain8imy Chain S Residue 903 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8imy Structures of substrates- and products-bound glycosylphosphatidylinositol transamidase illuminate GPI-AP biogenesis
Resolution3.22 Å
Binding residue
(original residue number in PDB)		P33 K37
Binding residue
(residue number reindexed from 1)		P32 K36
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
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Cellular Component
External links
PDB RCSB:8imy, PDBe:8imy, PDBj:8imy
PDBsum8imy
PubMed37684232
UniProtQ96S52|PIGS_HUMAN GPI transamidase component PIG-S (Gene Name=PIGS)

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