Structure of PDB 8sri Chain A Binding Site BS01

Receptor Information

>8sri Chain A (length=1368) Species: 946362 (Salpingoeca rosetta)

VAAKTLLIENEDGKGSTRMEVQDFMKRFHMHASEDDKTGSPSTAWGTLRF
PTKEATAPYLRLSVNDDPEDALLFVKAMLAQKYGETYDRPSLILSVTGGA
RNFTLPPRLETAIAKGLRLAAQRTNAWVVTGGTNTGVMKLTGQIMEALSK
TQSHFIPPTIGIATYGVIIGGDDMTRGEPPKIGLEYEMHKKDPPKTTPLD
DNHNLFLLVDDGSTNKFGKEIKFRAAFENAAGQAFAAPVVTIVVQGGPGT
LGTALQAVRQGTPIVVVDGSGLAADVLAYAYNFMHNPLTRFKSYTIDDLR
QKVAQTFNPKSSQQLTNLLDSALECVQDPNLVVVYSLQESGIDEFDDCIL
KAIFSSQGKLGNKLKQAMYFDQLDVAKRALSEASKNGQHNEIAACINDNL
MAAMMHNKPHFVELYLGFDAKIYELKPSEEVAKTNITALDELPSFALAIE
ELYKREAKKPHSHVQRLVSLSNTDVLGRHYRGRDLANTRAYNVLRMDQIF
ARLVSKDFSVNRDFTIYDSKYDKVPGIQFRRTAQASHMLFLWAICLDRFR
MARHFWLIGDQSIINALVASRILERLSTHRALQGPHLAEERAKMQHNAKK
FEELAVGVLGECHGSDSHMASEMLHSKNDMFNKKNAINIAYDAKSLAFLS
HPATQSVINADWYGHLKSVTSFWAVLFAFFFPFFVLPFINFSGAHRLRRK
FAKFYSAPYTRFISDLLSHFVLCVVTSYFVLDKLEDTISAIEWILLVWFV
ALLLEELRQMIFCDGIAEYISDTWNRLDLIMITLFFVGFFTHASDPSNQD
SKVVSKGIHAFLVVVLWLRFMRYYALSKNLGPKLIMMMEMMKDVSTFVFL
LLIFLIGYGVAAQSLLSPDEDFSSRTFIGVLFRPYFQIYGELFLDDLNSE
ANCLGDTPFTECSRETVRMVPFFLAVYILGSNVLLVNLLIAMFNDTYMKV
QEAAEDLWRKQNYELCAEYKDRPFLPAPFILLAHVHMLFMRLLRLCGVHT
QEHEKIQDDETKRKITTFEALNTDKFLRRWERERQEMLEARVKMTNDNVV
QAMGMMDQLLEHMISFRFSLDQQATKNRLNSAVAVHGHTAEAAEWYVPPE
EYPKSGGVKRYLIDASMVPLSIMCPSYDPVEYTHPSVAAQPVWADPADPR
KIKFNVKDEVNGKVVDRTSCHPSGISIDSNTGRPINPWGRTGMTGRGLLG
KWGVNQAADTVVTRWKRSPDGSILERDGKKVLEFVAIQRQDNKMWAIPGG
FVDNGEDVALTSGREFMEEALGMGTSAESKDSLAALFSSGTIVARIYCED
PRNTDNAWVETTCVNFHDESGRHAARLKLQGGDDAEHARWMMVHGGLNLF
ASHRTLLQHVTSALNAYF

Ligand information

• Ligand ID: APR
• InChI: InChI=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
• InChIKey: SRNWOUGRCWSEMX-KEOHHSTQSA-N
• SMILES:
  ACDLabs 10.04: O=P(O)(OCC3OC(n1c2ncnc(N)c2nc1)C(O)C3O)OP(=O)(O)OCC4OC(O)C(O)C4O
  OpenEye OEToolkits 1.5.0: c1nc(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 1.5.0: c1nc(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 3.341: Nc1ncnc2n(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 3.341: Nc1ncnc2n(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
• Formula: C15 H23 N5 O14 P2
• Name: ADENOSINE-5-DIPHOSPHORIBOSE
• ChEMBL: CHEMBL1231026
• ZINC: ZINC000017654550
• PDB chain: 8sri Chain A Residue 1701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8sri Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution
• Resolution: 2.73 Å
• Binding residue (original residue number in PDB): T148 G149 G150 A151 R152 T184 F268 R275 G298 G300 T301
• Binding residue (residue number reindexed from 1): T97 G98 G99 A100 R101 T133 F217 R224 G247 G249 T250
• Annotation score: 1

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

External links

• PDB: RCSB:8sri, PDBe:8sri, PDBj:8sri
• PDBsum: 8sri
• UniProt: F2UB89