Structure of PDB 8srk Chain B Binding Site BS02

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 IDAPR
InChIInChI=1S/C15H23N5O14P2/c16-12-7-13(18-3-17-12)20(4-19-7)14-10(23)8(21)5(32-14)1-30-35(26,27)34-36(28,29)31-2-6-9(22)11(24)15(25)33-6/h3-6,8-11,14-15,21-25H,1-2H2,(H,26,27)(H,28,29)(H2,16,17,18)/t5-,6-,8-,9-,10-,11-,14-,15-/m1/s1
InChIKeySRNWOUGRCWSEMX-KEOHHSTQSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC4OC(O)C(O)C4O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=O)(O)O[P@](=O)(O)OC[C@@H]4[C@H]([C@H]([C@@H](O4)O)O)O)O)O)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OCC4C(C(C(O4)O)O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)OC[CH]4O[CH](O)[CH](O)[CH]4O)[CH](O)[CH]3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)OC[C@H]4O[C@@H](O)[C@H](O)[C@@H]4O)[C@@H](O)[C@H]3O
FormulaC15 H23 N5 O14 P2
NameADENOSINE-5-DIPHOSPHORIBOSE
ChEMBLCHEMBL1231026
DrugBank
ZINCZINC000017654550
PDB chain8srk Chain B Residue 1701 [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)		G149 A151 R152 G182 T184 F268 G298 G300 T301
Binding residue
(residue number reindexed from 1)		G98 A100 R101 G131 T133 F217 G247 G249 T250
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

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

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