Structure of PDB 8k9t Chain A Binding Site BS07

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 1508 [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)		F280 L1041 P1045 L1048 P1049
Binding residue
(residue number reindexed from 1)		F143 L856 P860 L863 P864
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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