Structure of PDB 8ti1 Chain E Binding Site BS02

Receptor Information
>8ti1 Chain E (length=1141) Species: 10036 (Mesocricetus auratus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MPLAFCGTENHSAAYRVDQGVLNNGCFVDALNVVPHVFLLFITFPILFIG
WGSQSSKVHIHHSTWLHFPGHNLRWILTFILLFVLVCEIAEGILSDGVTE
SRHLHLYMPAGMAFMAAITSVVYYHNIETSNFPKLLIALLIYWTLAFITK
TIKFVKFYDHAIGFSQLRFCLTGLLVILYGMLLLVEVNVIRVRRYIFFKT
PREVKPPEDLQDLGVRFLQPFVNLLSKGTYWWMNAFIKTAHKKPIDLRAI
GKLPIAMRALTNYQRLCVAFDAPQGARAIWRALCHAFGRRLILSSTFRIL
ADLLGFAGPLCIFGIVDHLGKENHVFQPKTQFLGVYFVSSQEFLGNAYVL
AVLLFLALLLQRTFLQASYYVAIETGINLRGAIQTKIYNKIMHLSTSNLS
MGEMTAGQICNLVAIDTNQLMWFFFLCPNLWAMPVQIIVGVILLYYILGV
SALIGAAVIILLAPVQYFVATKLSQAQRSTLEHSNERLKQTNEMLRGMKL
LKLYAWESIFCSRVEVTRRKEMTSLRAFAVYTSISIFMNTAIPIAAVLIT
FVGHVSFFKESDLSPSVAFASLSLFHILVTPLFLLSSVVRSTVKALVSVK
KLSEFLSNFCVQIIGGFFTWTPDGIPTLSNITIRIPRGQLTMIVGQVGCG
KSSLLLATLGEMQKVSGAVFWNSNLSRGPVAYASQKPWLLNATVEENITF
ESPFNKQRYKMVIEACSLQPDIDILPHGDQTQIGERGINLSGGQRQRISV
ARALYQQTNVVFLDDPFSALDVHLSDHLMQAGILELLRDDKRTVVLVTHK
LQYLPHADWIIAMKDGTIQREGTLKDFQRSECQLFEHPWRACTKYLSSAG
ILLLSLLVFSQLLKHMVLVAIDYWLAKWTDSALVDQSVYAMVFTLLCSLG
IVLCLVTSVTVEWTGLKVAKRLHRSLLNRIILAPMRFFETTPLGSILNRF
SSDCNTIDQHIPSTLECLSRSTLLCVSALTVISYVTPVFLVALLPLAVVC
YFIQKYFRVASRDLQQLDDTTQLPLLSHFAETVEGLTTIRAFRYEARFQQ
KLLEYTDSNNIASLFLTAANRWLEVRMEYIGACVVLIAAATSISNSLHRE
LSAGLVGLGLTYALMVSNYLNWMVRNLADMEIQLGAVKRIH
Ligand information
Ligand IDP5S
InChIInChI=1S/C42H82NO10P/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-40(44)50-35-38(36-51-54(48,49)52-37-39(43)42(46)47)53-41(45)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h38-39H,3-37,43H2,1-2H3,(H,46,47)(H,48,49)/t38-,39+/m1/s1
InChIKeyTZCPCKNHXULUIY-RGULYWFUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)OC[CH](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC
CACTVS 3.370CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)OC[C@H](N)C(O)=O)OC(=O)CCCCCCCCCCCCCCCCC
ACDLabs 12.01O=C(OC(COP(=O)(OCC(C(=O)O)N)O)COC(=O)CCCCCCCCCCCCCCCCC)CCCCCCCCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OCC(C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC
OpenEye OEToolkits 1.7.6CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)OC[C@@H](C(=O)O)N)OC(=O)CCCCCCCCCCCCCCCCC
FormulaC42 H82 N O10 P
NameO-[(R)-{[(2R)-2,3-bis(octadecanoyloxy)propyl]oxy}(hydroxy)phosphoryl]-L-serine;
phosphatidyl serine
ChEMBLCHEMBL4297669
DrugBankDB00144
ZINCZINC000085588270
PDB chain8ti1 Chain E Residue 1603 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ti1 Structure of an open K ATP channel reveals tandem PIP 2 binding sites mediating the Kir6.2 and SUR1 regulatory interface.
Resolution2.9 Å
Binding residue
(original residue number in PDB)		H61 I118 H125 N126 L364
Binding residue
(residue number reindexed from 1)		H61 I118 H125 N126 L356
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008281 sulfonylurea receptor activity
GO:0016887 ATP hydrolysis activity
GO:0019829 ATPase-coupled monoatomic cation transmembrane transporter activity
GO:0042626 ATPase-coupled transmembrane transporter activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006813 potassium ion transport
GO:0055085 transmembrane transport
GO:0098655 monoatomic cation transmembrane transport
GO:0098662 inorganic cation transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0032991 protein-containing complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:8ti1, PDBe:8ti1, PDBj:8ti1
PDBsum8ti1
PubMed38509107
UniProtA0A1S4NYG1

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