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BioLiP

Structure of PDB 8ti1 Chain G Binding Site BS01

Receptor Information
>8ti1 Chain G (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 IDPT5
InChIInChI=1S/C47H85O19P3/c1-3-5-7-9-11-13-15-17-19-20-22-24-26-28-30-32-34-36-41(49)63-39(37-61-40(48)35-33-31-29-27-25-23-21-18-16-14-12-10-8-6-4-2)38-62-69(59,60)66-45-42(50)43(51)46(64-67(53,54)55)47(44(45)52)65-68(56,57)58/h11,13,17,19,22,24,28,30,39,42-47,50-52H,3-10,12,14-16,18,20-21,23,25-27,29,31-38H2,1-2H3,(H,59,60)(H2,53,54,55)(H2,56,57,58)/b13-11?,19-17?,24-22-,30-28?/t39-,42-,43+,44+,45-,46-,47-/m1/s1
InChIKeyCNWINRVXAYPOMW-HJBQCNPJSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[CH](CO[P](O)(=O)O[CH]1[CH](O)[CH](O)[CH](O[P](O)(O)=O)[CH](O[P](O)(O)=O)[CH]1O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCC(=O)OCC(COP(=O)(O)OC1C(C(C(C(C1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CCC=CCC=CCC=CCCCCC
CACTVS 3.385CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO[P](O)(=O)O[C@@H]1[C@H](O)[C@H](O)[C@@H](O[P](O)(O)=O)[C@H](O[P](O)(O)=O)[C@H]1O)OC(=O)CCC\C=C/C\C=C/C/C=C/CC=CCCCCC
OpenEye OEToolkits 2.0.7CCCCCCCCCCCCCCCCCC(=O)OC[C@H](COP(=O)(O)O[C@@H]1[C@@H]([C@@H]([C@H]([C@@H]([C@H]1O)OP(=O)(O)O)OP(=O)(O)O)O)O)OC(=O)CCCC=CC/C=C\CC=CCC=CCCCCC
FormulaC47 H85 O19 P3
Name[(2R)-1-octadecanoyloxy-3-[oxidanyl-[(1R,2R,3S,4R,5R,6S)-2,3,6-tris(oxidanyl)-4,5-diphosphonooxy-cyclohexyl]oxy-phospho ryl]oxy-propan-2-yl] (8Z)-icosa-5,8,11,14-tetraenoate;
Phosphatidylinositol 4,5-bisphosphate;
PtdIns(4,5)P2
ChEMBL
DrugBank
ZINC
PDB chain8ti1 Chain G Residue 1601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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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)		F38 F132 K134 L135 I137
Binding residue
(residue number reindexed from 1)		F38 F132 K134 L135 I137
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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Biological Process
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Cellular Component
External links

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