Structure of PDB 8sr8 Chain D Binding Site BS02

Receptor Information
>8sr8 Chain D (length=1353) Species: 946362 (Salpingoeca rosetta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIRQSVAAKTLLIENEDGKGSTRMEVQDFMKRFHMHASEDDKTGSPSTAW
GTLRFPTKEATAPYLRLSVNDDPEDALLFVKAMLAQKYGETYDRPSLILS
VTGGARNFTLPPRLETAIAKGLRLAAQRTNAWVVTGGTNTGVMKLTGQIM
EALSKTQSHFIPPTIGIATYGVIIGGDDMTRGEPPKIGLEYEMHKKDPPK
TTPLDDNHNLFLLVDDGSTNKFGKEIKFRAAFENAAGQAFAAPVVTIVVQ
GGPGTLGTALQAVRQGTPIVVVDGSGLAADVLAYAYNFMHNPLTRFKSYT
IDDLRQKVAQTFNPKSSQQLTNLLDSALECVQDPNLVVVYSLQESGIDEF
DDCILKAIFSSQGKLGNKLKQAMYFDQLDVAKRALSEASKNGQHNEIAAC
INDNLMAAMMHNKPHFVELYLGFDAKIYELKPSEEVAKTNITALDELPSF
ALAIEELYKREAKKPHSHVQRLVSLSNTDVLGRHYRGRDLANTRAYNVLR
MDQIFARLVSKDFSVNRDFTIYDSKYDKVPGIQFRRTAQASHMLFLWAIC
LDRFRMARHFWLIGDQSIINALVASRILERLSTHRALQGPHLAEERAKMQ
HNAKKFEELAVGVLGECHGSDSHMASEMLHSKNDMFNKKNAINIAYDAKS
LAFLSHPATQSVINADWYGHLKSVTSFWAVLFAFFFPFFVLPFINFSGAH
RLRRKFAKFYSAPYTRFISDLLSHFVLCVVTSYFVLDKLEDTISAIEWIL
LVWFVALLLEELRQMIFCDGIAEYISDTWNRLDLIMITLFFVGFFTHASD
PSNQDSKVVSKGIHAFLVVVLWLRFMRYYALSKNLGPKLIMMMEMMKDVS
TFVFLLLIFLIGYGVAAQSLLSPDEDFSSRTFIGVLFRPYFQIYGELFLD
DLNSEANCLGDTPFTECSRETVRMVPFFLAVYILGSNVLLVNLLIAMFND
TYMKVQEAAEDLWRKQNYELCAEYKDRPFLPAPFILLAHVHMLFMRLLRL
CGVHTQEHEKIQDDETKRKITTFEELNTDKFLRRWERERQEMLEARVKMT
NDNVVQAMGMMDQLLEHMISFRFSLDQQAEWYVPPEEYPKSGGVKRYLID
ASMVPLSIMCPSYDPVEYTHPSVAAQPVWADPADPRKIKFNVKDEVNGKV
VDRTSCHPSGISIDSNTGRPINPWGRTGMTGRGLLGKWGVNQAADTVVTR
WKRSPDGSILERDGKKVLEFVAIQRQDNKMWAIPGGFVDNGEDVALTSGR
EFMEEALGMGSAESKDSLAALFSSGTIVARIYCEDPRNTDNAWVETTCVN
FHDESGRHAARLKLQGGDDAEHARWMMVHGGLNLFASHRTLLQHVTSALN
AYF
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 chain8sr8 Chain D Residue 6001 [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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PDB8sr8 Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution
Resolution2.77 Å
Binding residue
(original residue number in PDB)		R1012 P1015 F1016
Binding residue
(residue number reindexed from 1)		R923 P926 F927
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
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8sr8, PDBe:8sr8, PDBj:8sr8
PDBsum8sr8
PubMed38773335
UniProtF2UB89

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