Structure of PDB 8srh Chain A Binding Site BS01

Receptor Information

>8srh Chain A (length=1366) Species: 946362 (Salpingoeca rosetta)

VAAKTLLIENEDGKGSTRMEVQDFMKRFHMHASEDDKTGSPSTAWGTLRF
PTKEATAPYLRLSVNDDPEDALLFVKAMLAQKYGETYDRPSLILSVTGGA
RNFTLPPRLETAIAKGLRLAAQRTNAWVVTGGTNTGVMKLTGQIMEALSK
TQSHFIPPTIGIATYGVIIGGDDMTRGEPPKIGLEYEMHKKDPPKTTPLD
DNHNLFLLVDDGSTNKFGKEIKFRAAFENAAGQAFAAPVVTIVVQGGPGT
LGTALQAVRQGTPIVVVDGSGLAADVLAYAYNFMHNPLTRFKSYTIDDLR
QKVAQTFNPKSSQQLTNLLDSALECVQDPNLVVVYSLQESGIDEFDDCIL
KAIFSSQGKLGNKLKQAMYFDQLDVAKRALSEASKNGQHNEIAACINDNL
MAAMMHNKPHFVELYLGFDAKIYELKPSEEVAKTNITALDELPSFALAIE
ELYKREAKKPHSHVQRLVSLSNTDVLGRHYRVRDLANTRAYNVLRMDQIF
ARLVSKDFSVNRDFTIYDSKYDKVPGIQFRRTAQASHMLFLWAICLDRFR
MARHFWLIGDQSIINALVASRILERLSTHRALQGPHLAEERAKMQHNAKK
FEELAVGVLGECHGSDSHMASEMLHSKNDMFNKKNAINIAYDAKSLAFLS
HPATQSVINADWYGHLKSVTSFWAVLFAFFFPFFVLPFINFSGAHRLRRK
FAKFYSAPYTRFISDLLSHFVLCVVTSYFVLDKLEDTISAIEWILLVWFV
ALLLEELRQMIFCDGIAEYISDTWNRLDLIMITLFFVGFFTHASDPSNQD
SKVVSKGIHAFLVVVLWLRFMRYYALSKNLGPKLIMMMEMMKDVSTFVFL
LLIFLIGYGVAAQSLLSPDEDFSSRTFIGVLFRPYFQIYGELFLDDLNSE
ANCLGDTPFTECSRETVRMVPFFLAVYILGSNVLLVNLLIAMFNDTYMKV
QEAAEDLWRKQNYELCAEYKDRPFLPAPFILLAHVHMLFMRLLRLCGVHT
QEHEKIQDDETKRKITTFEALNTDKFLRRWERERQEMLEARVKMTNDNVV
QAMGMMDQLLEHMISFRFSLDQQANRLNSAVAVHGHTAEAAEWYVPPEEY
PKSGGVKRYLIDASMVPLSIMCPSYDPVEYTHPSVAAQPVWADPADPRKI
KFNVKDEVNGKVVDRTSCHPSGISIDSNTGRPINPWGRTGMTGRGLLGKW
GVNQAADTVVTRWKRSPDGSILERDGKKVLEFVAIQRQDNKMWAIPGGFV
DNGEDVALTSGREFMEEALGMGTSAESKDSLAALFSSGTIVARIYCEDPR
NTDNAWVETTCVNFHDESGRHAARLKLQGGDDAEHARWMMVHGGLNLFAS
HRTLLQHVTSALNAYF

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: 8srh Chain A Residue 1701

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8srh Coupling enzymatic activity and gating in an ancient TRPM chanzyme and its molecular evolution
• Resolution: 3.79 Å
• Binding residue (original residue number in PDB): T148 G149 G150 A151 R152 N153 T184 F268 G298 G300 T301 T304
• Binding residue (residue number reindexed from 1): T97 G98 G99 A100 R101 N102 T133 F217 G247 G249 T250 T253
• 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:8srh, PDBe:8srh, PDBj:8srh
• PDBsum: 8srh
• UniProt: F2UB89