Structure of PDB 8sre Chain B Binding Site BS08

Receptor Information

>8sre Chain B (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 B Residue 1708

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): W1264 G1321 D1330 R1360 G1370 G1371 F1372 C1424 D1426 R1428 F1476 H1479
• Binding residue (residue number reindexed from 1): W1147 G1204 D1213 R1243 G1253 G1254 F1255 C1307 D1309 R1311 F1359 H1362
• 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