Structure of PDB 8srb Chain A Binding Site BS01

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 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 chain8srb Chain A Residue 1701 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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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)		T148 G149 A151 T184 F268 G298 P299 T301
Binding residue
(residue number reindexed from 1)		T101 G102 A104 T137 F221 G251 P252 T254
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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