Structure of PDB 8sr9 Chain D Binding Site BS01

Receptor Information
>8sr9 Chain D (length=1352) Species: 946362 (Salpingoeca rosetta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AMIRQSVAAKTLLIENEDGKGSTRMEVQDFMKRFHMHASEDDKTGSPSTA
WGTLRFPTKEATAPYLRLSVNDDPEDALLFVKAMLAQKYGETYDRPSLIL
SVTGGARNFTLPPRLETAIAKGLRLAAQRTNAWVVTGGTNTGVMKLTGQI
MEALSKTQSHFIPPTIGIATYGVIIGGDDMTRGEPPKIGLEYEMHKKDPP
KTTPLDDNHNLFLLVDDGSTNKFGKEIKFRAAFENAAGQAFAAPVVTIVV
QGGPGTLGTALQAVRQGTPIVVVDGSGLAADVLAYAYNFMHNPLTRFKSY
TIDDLRQKVAQTFNPKSSQQLTNLLDSALECVQDPNLVVVYSLQESGIDE
FDDCILKAIFSSQGKLGNKLKQAMYFDQLDVAKRALSEASKNGQHNEIAA
CINDNLMAAMMHNKPHFVELYLGFDAKIYELKPSEEVAKTNITALDELPS
FALAIEELYKREAKKPHSHVQRLVSLSNTDVLGRHYRGRDLANTRAYNVL
RMDQIFARLVSKDFSVNRDFTIYDSKYDKVPGIQFRRTAQASHMLFLWAI
CLDRFRMARHFWLIGDQSIINALVASRILERLSTHRALQGPHLAEERAKM
QHNAKKFEELAVGVLGECHGSDSHMASEMLHSKNDMFNKKNAINIAYDAK
SLAFLSHPATQSVINADWYGHLKSVTSFWAVLFAFFFPFFVLPFINGAHR
LRRKFAKFYSAPYTRFISDLLSHFVLCVVTSYFVLDKLEDTISAIEWILL
VWFVALLLEELRQMIFCDGIAEYISDTWNRLDLIMITLFFVGFFTHASDP
SNQDSKVVSKGIHAFLVVVLWLRFMRYYALSKNLGPKLIMMMEMMKDVST
FVFLLLIFLIGYGVAAQSLLSPDEDFSSRTFIGVLFRPYFQIYGELFLDD
LNSEANCLGDTPFTECSRETVRMVPFFLAVYILGSNVLLVNLLIAMFNDT
YMKVQEAAEDLWRKQNYELCAEYKDRPFLPAPFILLAHVHMLFMRLLRLC
GVHTQEHEKIQDDETKRKITTFEELNTDKFLRRWERERQEMLEARVKMTN
DNVVQAMGMMDQLLEHMISFRFSLDQQAEWYVPPEEYPKSGGVKRYLIDA
SMVPLSIMCPSYDPVEYTHPSVAAQPVWADPADPRKIKFNVKDEVNGKVV
DRTSCHPSGISIDSNTGRPINPWGRTGMTGRGLLGKWGVNQAADTVVTRW
KRSPDGSILERDGKKVLEFVAIQRQDNKMWAIPGGFVDNGEDVALTSGRE
FMEEALGMGSAESKDSLAALFSSGTIVARIYCEDPRNTDNAWVETTCVNF
HDESGRHAARLKLQGGDDAEHARWMMVHGGLNLFASHRTLLQHVTSALNA
YF
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 chain8sr9 Chain C Residue 3004 [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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PDB8sr9 Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution
Resolution3.05 Å
Binding residue
(original residue number in PDB)		F976 Y979
Binding residue
(residue number reindexed from 1)		F886 Y889
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
GO:0005261 monoatomic cation channel activity
GO:0005262 calcium channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0055085 transmembrane transport
GO:0070588 calcium ion transmembrane transport
GO:0098655 monoatomic cation transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane

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Molecular Function
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Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8sr9, PDBe:8sr9, PDBj:8sr9
PDBsum8sr9
PubMed38773335
UniProtF2UB89

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