Structure of PDB 8k9t Chain A Binding Site BS06

Receptor Information
>8k9t Chain A (length=961) Species: 759272 (Thermochaetoides thermophila DSM 1495) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PWRSPWAISVFAFVTSLLGIGLLLAVIHSSVTRQIDPKGCRMSYMRPSYA
KLSDFDTEHTRLASKYSLYLYREQGIDHDVKVRGVPVLFIPGNAGSYKQV
RPIAAEAANYFHDVLQHDEAALRAGVRSLDFFTVDFNEDITAFHGQTLLD
QAEYLNEAIRYILSLYLDPRVSERDPDLPDPTSVIVLGHAMGGIVARTML
IMPNYQHNSINTIITMSAPHARPPVSFDGQIVQTYKDINNYWRHAYSQKW
ANDNPLWHVTLVSIAGGGLDTVVPSDYASIESLVPDTHGFTVFTSTIPNV
WTSMDHQAILWCDQFRKVIIRALFDIVDVHRASQTKPRAQRMRVFKKWFL
SGMETVAEKIAPTSDPTTLLIVDDKSDSITAEGERLVLRELGTQGSVRAH
LMPIPPPGSPELKRFTLLTDTKLDKPGENGKLEVMFCSVIPSQPNPTGPA
IPSQLDLSKGNAGTTRLACTNVAPDVITLPASTRFARFPFSVRKEAEIPP
FSYLEYVLDDISEHQFVAVIEKATIPTPGFVIAEFSDHSNSHHTRHIGLR
NLLTFGISLRLPSNRPMMSEVRIPSVKSSLLAYNLRISALECSGRKDLFA
PLVRQYLAEPYESKYFVNARQAAVSLHGVAPYVPPPMSREPEAEGLAFQL
WTDPTCNSSIQVDLTVDVMGSLGKLYMRYRTVFAAFPLFIVSLVLRKQFQ
VYDSTGSFITFAEGLDLSLRQSIPVMLIVLAALTLSTNFHQNDLLIGTQD
PFFLFLIPLIGIICVGVCTVVNYIALSLTRLISVVISFIGFLTVRFGTAV
LLFLVSTMIPYQLAYLVACLVQLGTLVRAQRISSELRSPANSNFHNYVHS
IFILMLWILPINLPTLVVWMHNLSVHWLTPFTSHHNVFSIMPFILLVETH
TTGQMIPRTCCVLLRHITSILLLSLALYAAVYGVSYAYTLHQFVNLFAFW
LVMVHSTADDW
Ligand information
Ligand IDCLR
InChIInChI=1S/C27H46O/c1-18(2)7-6-8-19(3)23-11-12-24-22-10-9-20-17-21(28)13-15-26(20,4)25(22)14-16-27(23,24)5/h9,18-19,21-25,28H,6-8,10-17H2,1-5H3/t19-,21+,22+,23-,24+,25+,26+,27-/m1/s1
InChIKeyHVYWMOMLDIMFJA-DPAQBDIFSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC(C)CCCC(C)C1CCC2C1(CCC3C2CC=C4C3(CCC(C4)O)C)C
CACTVS 3.341CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](O)CC[C@]4(C)[C@H]3CC[C@]12C
ACDLabs 10.04OC4CCC3(C(=CCC2C1C(C(C(C)CCCC(C)C)CC1)(C)CCC23)C4)C
OpenEye OEToolkits 1.5.0CC(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)O)C)C
CACTVS 3.341CC(C)CCC[CH](C)[CH]1CC[CH]2[CH]3CC=C4C[CH](O)CC[C]4(C)[CH]3CC[C]12C
FormulaC27 H46 O
NameCHOLESTEROL
ChEMBLCHEMBL112570
DrugBankDB04540
ZINCZINC000003875383
PDB chain8k9t Chain A Residue 1507 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB8k9t CryoEM Structure of GLE1-prodS
Resolution2.66 Å
Binding residue
(original residue number in PDB)		W143 F150 V928 Y931
Binding residue
(residue number reindexed from 1)		W6 F13 V770 Y773
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0016787 hydrolase activity
GO:0016788 hydrolase activity, acting on ester bonds
GO:0050185 phosphatidylinositol deacylase activity
Biological Process
GO:0006505 GPI anchor metabolic process
GO:0006888 endoplasmic reticulum to Golgi vesicle-mediated transport
GO:0008218 bioluminescence
GO:0015031 protein transport
Cellular Component
GO:0005783 endoplasmic reticulum
GO:0005789 endoplasmic reticulum membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8k9t, PDBe:8k9t, PDBj:8k9t
PDBsum8k9t
PubMed38167496
UniProtG0S652

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