Structure of PDB 8sre Chain A Binding Site BS01

Receptor Information

>8sre Chain A (length=1377) Species: 946362 (Salpingoeca rosetta)

SVAAKTLLIENEDGKGSTRMEVQDFMKRFHMHASEDDKTGSPSTAWGTLR
FPTKEATAPYLRLSVNDDPEDALLFVKAMLAQKYGETYDRPSLILSVTGG
ARNFTLPPRLETAIAKGLRLAAQRTNAWVVTGGTNTGVMKLTGQIMEALS
KTQSHFIPPTIGIATYGVIIGGDDMTRGEPPKIGLEYEMHKKDPPKTTPL
DDNHNLFLLVDDGSTNKFGKEIKFRAAFENAAGQAFAAPVVTIVVQGGPG
TLGTALQAVRQGTPIVVVDGSGLAADVLAYAYNFMHNPLTRFKSYTIDDL
RQKVAQTFNPKSSQQLTNLLDSALECVQDPNLVVVYSLQESGIDEFDDCI
LKAIFSSQGKLGNKLKQAMYFDQLDVAKRALSEASKNGQHNEIAACINDN
LMAAMMHNKPHFVELYLGFDAKIYELKPSEEVAKTNITALDELPSFALAI
EELYKREAKKPHSHVQRLVSLSNTDVLGRHYRGRDLANTRAYNVLRMDQI
FARLVSKDFSVNRDFTIYDSKYDKVPGIQFRRTAQASHMLFLWAICLDRF
RMARHFWLIGDQSIINALVASRILERLSTHRALQGPHLAEERAKMQHNAK
KFEELAVGVLGECHGSDSHMASEMLHSKNDMFNKKNAINIAYDAKSLAFL
SHPATQSVINADWYGHLKSVTSFWAVLFAFFFPFFVLPFINFSGAHRLRR
KFAKFYSAPYTRFISDLLSHFVLCVVTSYFVLDKLEDTISAIEWILLVWF
VALLLEELRQMIFCDGIAEYISDTWNRLDLIMITLFFVGFFTHASDPSNQ
DSKVVSKGIHAFLVVVLWLRFMRYYALSKNLGPKLIMMMEMMKDVSTFVF
LLLIFLIGYGVAAQSLLSPDEDFSSRTFIGVLFRPYFQIYGELFLDDLNS
EANCLGDTPFTECSRETVRMVPFFLAVYILGSNVLLVNLLIAMFNDTYMK
VQEAAEDLWRKQNYELCAEYKDRPFLPAPFILLAHVHMLFMRLLRLCGVH
TQEHEKIQDDETKRKITTFEELNTDKFLRRWERERQEMLEARVKMTNDNV
VQAMGMMDQLLEHMISFRFSLDQQATKIPINRLNSAVAVHGHTAEAAEWY
VPPEEYPKSGGVKRYLIDASMVPLSIMCPSYDPVEYTHPSVAAQPVWADP
ADPRKIKFNVKDEVNGKVVDRTSCHPSGISIDSNTGRPINPWGRTGMTGR
GLLGKWGVNQAADTVVTRWKRSPDGSILERDGKKVLEFVAIQRQDNKMWA
IPGGFVDNGEDVALTSGREFMEEALGMGTSADLMSAESKDSLAALFSSGT
IVARIYCEDPRNTDNAWVETTCVNFHDESGRHAARLKLQGGDDAEHARWM
MVHGGLNLFASHRTLLQHVTSALNAYF

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: 8sre Chain A Residue 1701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8sre Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution
• Resolution: 2.52 Å
• Binding residue (original residue number in PDB): T148 G149 G150 A151 R152 N153 T184 M189 F268 G298 T301 T304
• Binding residue (residue number reindexed from 1): T98 G99 G100 A101 R102 N103 T134 M139 F218 G248 T251 T254
• 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:8sre, PDBe:8sre, PDBj:8sre
• PDBsum: 8sre
• UniProt: F2UB89