Structure of PDB 8srh Chain B Binding Site BS05

Receptor Information
>8srh Chain B (length=1366) 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
ELYKREAKKPHSHVQRLVSLSNTDVLGRHYRVRDLANTRAYNVLRMDQIF
ARLVSKDFSVNRDFTIYDSKYDKVPGIQFRRTAQASHMLFLWAICLDRFR
MARHFWLIGDQSIINALVASRILERLSTHRALQGPHLAEERAKMQHNAKK
FEELAVGVLGECHGSDSHMASEMLHSKNDMFNKKNAINIAYDAKSLAFLS
HPATQSVINADWYGHLKSVTSFWAVLFAFFFPFFVLPFINFSGAHRLRRK
FAKFYSAPYTRFISDLLSHFVLCVVTSYFVLDKLEDTISAIEWILLVWFV
ALLLEELRQMIFCDGIAEYISDTWNRLDLIMITLFFVGFFTHASDPSNQD
SKVVSKGIHAFLVVVLWLRFMRYYALSKNLGPKLIMMMEMMKDVSTFVFL
LLIFLIGYGVAAQSLLSPDEDFSSRTFIGVLFRPYFQIYGELFLDDLNSE
ANCLGDTPFTECSRETVRMVPFFLAVYILGSNVLLVNLLIAMFNDTYMKV
QEAAEDLWRKQNYELCAEYKDRPFLPAPFILLAHVHMLFMRLLRLCGVHT
QEHEKIQDDETKRKITTFEALNTDKFLRRWERERQEMLEARVKMTNDNVV
QAMGMMDQLLEHMISFRFSLDQQANRLNSAVAVHGHTAEAAEWYVPPEEY
PKSGGVKRYLIDASMVPLSIMCPSYDPVEYTHPSVAAQPVWADPADPRKI
KFNVKDEVNGKVVDRTSCHPSGISIDSNTGRPINPWGRTGMTGRGLLGKW
GVNQAADTVVTRWKRSPDGSILERDGKKVLEFVAIQRQDNKMWAIPGGFV
DNGEDVALTSGREFMEEALGMGTSAESKDSLAALFSSGTIVARIYCEDPR
NTDNAWVETTCVNFHDESGRHAARLKLQGGDDAEHARWMMVHGGLNLFAS
HRTLLQHVTSALNAYF
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 chain8srh Chain B Residue 1707 [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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PDB8srh Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution
Resolution3.79 Å
Binding residue
(original residue number in PDB)		F1003 R1012 F1016
Binding residue
(residue number reindexed from 1)		F909 R918 F922
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:8srh, PDBe:8srh, PDBj:8srh
PDBsum8srh
PubMed
UniProtF2UB89

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