Structure of PDB 8srb Chain A Binding Site BS02

Receptor Information
>8srb Chain A (length=1349) Species: 946362 (Salpingoeca rosetta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
IRQSVAAKTLLIENEDGKGSTRMEVQDFMKRFHMHASEDDKTGSPSTAWG
TLRFPTKEATAPYLRLSVNDDPEDALLFVKAMLAQKYGETYDRPSLILSV
TGGARNFTLPPRLETAIAKGLRLAAQRTNAWVVTGGTNTGVMKLTGQIME
ALSKTQSHFIPPTIGIATYGVIIGGDDMTRGEPPKIGLEYEMHKKDPPKT
TPLDDNHNLFLLVDDGSTNKFGKEIKFRAAFENAAGQAFAAPVVTIVVQG
GPGTLGTALQAVRQGTPIVVVDGSGLAADVLAYAYNFMHNPLTRFKSYTI
DDLRQKVAQTFNPKSSQQLTNLLDSALECVQDPNLVVVYSLQESGIDEFD
DCILKAIFSSQGKLGNKLKQAMYFDQLDVAKRALSEASKNGQHNEIAACI
NDNLMAAMMHNKPHFVELYLGFDAKIYELKPSEEVAKTNITALDELPSFA
LAIEELYKREAKKPHSHVQRLVSLSNTDVLGRHYRGRDLANTRAYNVLRM
DQIFARLVSKDFSVNRDFTIYDSKYDKVPGIQFRRTAQASHMLFLWAICL
DRFRMARHFWLIGDQSIINALVASRILERLSTHRALQGPHLAEERAKMQH
NAKKFEELAVGVLGECHGSDSHMASEMLHSKNDMFNKKNAINIAYDAKSL
AFLSHPATQSVINADWYGHLKSVTSFWAVLFAFFFPFFVLPFINFSELRR
KFAKFYSAPYTRFISDLLSHFVLCVVTSYFVLDKLEDTISAIEWILLVWF
VALLLEELRQMIFCDGIAEYISDTWNRLDLIMITLFFVGFFTHASDPSNQ
DSKVVSKGIHAFLVVVLWLRFMRYYALSKNLGPKLIMMMEMMKDVSTFVF
LLLIFLIGYGVAAQSLLSPDEDFSSRTFIGVLFRPYFQIYGELFLDDLNS
EANCLGDTPFTECSRETVRMVPFFLAVYILGSNVLLVNLLIAMFNDTYMK
VQEAAEDLWRKQNYELCAEYKDRPFLPAPFILLAHVHMLFMRLLRLCGVH
TQEHEKIQDDETKRKITTFEELNTDKFLRRWERERQEMLEARVKMTNDNV
VQAMGMMDQLLEHMISFRFSLDQQAEWYVPPEEYPKSGGVKRYLIDASMV
PLSIMCPSYDPVEYTHPSVAAQPVWADPADPRKIKFNVKDEVNGKVVDRT
SCHPSGISIDSNTGRPINPWGRTGMTGRGLLGKWGVNQAADTVVTRWKRS
PDGSILERDGKKVLEFVAIQRQDNKMWAIPGGFVDNGEDVALTSGREFME
EALGMGSAESKDSLAALFSSGTIVARIYCEDPRNTDNAWVETTCVNFHDE
SGRHAARLKLQGGDDAEHARWMMVHGGLNLFASHRTLLQHVTSALNAYF
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 chain8srb Chain A Residue 1702 [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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PDB8srb Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution
Resolution2.82 Å
Binding residue
(original residue number in PDB)		I902 F905
Binding residue
(residue number reindexed from 1)		I809 F812
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
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Cellular Component
External links
PDB RCSB:8srb, PDBe:8srb, PDBj:8srb
PDBsum8srb
PubMed38773335
UniProtF2UB89

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