Structure of PDB 8srg Chain D Binding Site BS01

Receptor Information
>8srg Chain D (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
ELYKREAKKPHSHVQRLVSLSNTDVLGRHYRGRDLANTRAYNVLRMDQIF
ARLVSKDFSVNRDFTIYDSKYDKVPGIQFRRTAQASHMLFLWAICLDRFR
MARHFWLIGDQSIINALVASRILERLSTHRALQGPHLAEERAKMQHNAKK
FEELAVGVLGECHGSDSHMASEMLHSKNDMFNKKNAINIAYDAKSLAFLS
HPATQSVINADWYGHLKSVTSFWAVLFAFFFPFFVLPFINFSGAHRLRRK
FAKFYSAPYTRFISDLLSHFVLCVVTSYFVLDKLEDTISAIEWILLVWFV
ALLLEELRQMIFCDGIAEYISDTWNRLDLIMITLFFVGFFTHASDPSNQD
SKVVSKGIHAFLVVVLWLRFMRYYALSKNLGPKLIMMMEMMKDVSTFVFL
LLIFLIGYGVAAQSLLSPDEDFSSRTFIGVLFRPYFQIYGELFLDDLNSE
ANCLGDTPFTECSRETVRMVPFFLAVYILGSNVLLVNLLIAMFNDTYMKV
QEAAEDLWRKQNYELCAEYKDRPFLPAPFILLAHVHMLFMRLLRLCGVHT
QEHEKIQDDETKRKITTFEELNTDKFLRRWERERQEMLEARVKMTNDNVV
QAMGMMDQLLEHMISFRFSLDQQANRLNSAVAVHGHTAEAAEWYVPPEEY
PKSGGVKRYLIDASMVPLSIMCPSYDPVEYTHPSVAAQPVWADPADPRKI
KFNVKDEVNGKVVDRTSCHPSGISIDSNTGRPINPWGRTGMTGRGLLGKW
GVNQAADTVVTRWKRSPDGSILERDGKKVLEFVAIQRQDNKMWAIPGGFV
DNGEDVALTSGREFMEEALGMGMSAESKDSLAALFSSGTIVARIYCEDPR
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 chain8srg Chain C Residue 1508 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8srg Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution
Resolution3.03 Å
Binding residue
(original residue number in PDB)		F976 Y979
Binding residue
(residue number reindexed from 1)		F882 Y885
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

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8srg, PDBe:8srg, PDBj:8srg
PDBsum8srg
PubMed
UniProtF2UB89

[Back to BioLiP]