Structure of PDB 8srk Chain B Binding Site BS01

Receptor Information
>8srk Chain B (length=1071) Species: 946362 (Salpingoeca rosetta) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VAAKTLLIENEDGKGSTRMEVQDFMKRFHMHASEDDKTGSPSTAWGTLRF
PTKEATAPYLRLSVNDDPEDALLFVKAMLAQKYGETYDRPSLILSVTGGA
RNFTLPPRLETAIAKGLRLAAQRTNAWVVTGGTNTGVMKLTGQIMEALSK
TQSHFIPPTIGIATYGVIIGGDDMTRGEPPKIGLEYEMHKKDPPKTTPLD
DNHNLFLLVDDGSTNKFGKEIKFRAAFENAAGQAFAAPVVTIVVQGGPGT
LGTALQAVRQGTPIVVVDGSGLAADVLAYAYNFMHNPLTRFKSYTIDDLR
QKVAQTFNPKSSQQLTNLLDSALECVQDPNLVVVYSLQESGIDEFDDCIL
KAIFSSQGKLGNKLKQAMYFDQLDVAKRALSEASKNGQHNEIAACINDNL
MAAMMHNKPHFVELYLGFDAKIYELKPSEEVAKTNITALDELPSFALAIE
ELYKREAKKPHSHVQRLVSLSNTDVLGRHYRLANTRAYNVLRMDQIFARL
VSKDFSVNRDFTIYDSKYDKVPGIQFRRTAQASHMLFLWAICLDRFRMAR
HFWLIGDQSIINALVASRILERLSTHRALQGPHLAEERAKMQHNAKKFEE
LAVGVLGECHGSDSHMASEMLHSKNDMFNKKNAINIAYDAKSLAFLSHPA
TQSVINADWYGHLKSVTSFWAVLFAFFFPFFVLPFINFSGAHRLRRKFAK
FYSAPYTRFISDLLSHFVLCVVTSYFVLDKLEDTISAIEWILLVWFVALL
LEELRQMIFCDGIAEYISDTWNRLDLIMITLFFVGFFTHASDPSNQDSKV
VSKGIHAFLVVVLWLRFMRYYALSKNLGPKLIMMMEMMKDVSTFVFLLLI
FLIGYGVAAQSLLSPDEDFSSRTFIGVLFRPYFQIYGELFLDDLNSEANC
LGDTPFTECSRETVRMVPFFLAVYILGSNVLLVNLLIAMFNDTYMKVQEA
AEDLWRKQNYELCAEYKDRPFLPAPFILLAHVHMLFMRLLRLCGVHTQEH
EKIQDDETKRKITTFEELNTDKFLRRWERERQEMLEARVKMTNDNVVQAM
GMMDQLLEHMISFRFSLDQQA
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 chain8srk Chain A Residue 1705 [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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PDB8srk Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution
Resolution4.14 Å
Binding residue
(original residue number in PDB)		V942 L949 F976 Y979
Binding residue
(residue number reindexed from 1)		V845 L852 F879 Y882
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005216 monoatomic ion channel activity
Biological Process
GO:0006811 monoatomic ion transport
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

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Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8srk, PDBe:8srk, PDBj:8srk
PDBsum8srk
PubMed
UniProtF2UB89

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