Structure of PDB 6pz9 Chain C Binding Site BS03

Receptor Information
>6pz9 Chain C (length=1177) Species: 10034 (Cricetus cricetus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VNLLSKGTYWWMNAFIKTAHKKPIDLRAIAKLPIAMRALTNYQRLCVAFD
AQARKDTQSPQGARAIWRALCHAFGRRLILSSTFRILADLLGFAGPLCIF
GIVDHLGKEVSSQEFLGNAYVLAVLLFLALLLQRTFLQASYYVAIETGIN
LRGAIQTKIYNKIMHMSTSNLSMGEMTAGQICNLVAIDTNQLMWFFFLCP
NLWTMPVQIIVGVILLYYILGVSALIGAAVIILLAPVQYFVATKLSQAQR
TTLEHSNERLKQTNEMLRGMKLLKLYAWESIFCSRVEVTRRKEMTSLRAF
AVYTSISIFMNTAIPIAAVLITFVGHVSFFKESDLSPSVAFASLSLFHIL
VTPLFLLSSVVRSTVKALVSVQKLSEFLSSAEIRECVQIIGGFFTWTPDG
IPTLSNITIRIPRGQLTMIVGQVGCGKSSLLLATLGEMQKVSGAVFWNSN
RSRGPVAYASQKPWLLNATVEENITFESPFNKQRYKMVIEACSLQPDIDI
LPHGDQTQIGERGINLSGGQRQRISVARALYQQTNVVFLDDPFSALDVHL
SDHLMQAGILELLRDDKRTVVLVTHKLQYLPHADWIIAMKDGTIQREGTL
KDFQRSECQLFEHWQRAKIPWRACTKYLSSAGILLLSLLVFSQLLKHMVL
VAIDYWLAKWTDSADQSVYAMVFTLLCSLGIVLCLVTSVTVEWTGLKVAK
RLHRSLLNRIILAPMRFFETTPLGSILNRFSSDCNTIDQHIPSTLECLSR
STLLCVSALTVISYVTPVFLVALLPLAVVCYFIQKYFRVASRDLQQLDDT
TQLPLVSHFAETVEGLTTIRAFRYEARFQQKLLEYTDSNNIASLFLTAAN
RWLEVCMEYIGACVVLIAAATSISNSLHLVGLGLTYALMVSNYLNWMVRN
LADMEIQLGAVKRIHALLKTEAESYEGLLAPSLIPKNWPDQGKIQIQNLS
VRYDSSLKPVLKHVNTLISPGQKIGICGRTGSGKSSFSLAFFRMVDMFEG
RIIIDGIDIAKLPLHTLRSRLSIILQDPVLFSGTIRFNLDPEKKCSDSTL
WEALEIAQLKLVVKALPGGLDAIITEGGENFSQGQRQLFCLARAFVRKTS
IFIMDEATASIDMATENILQKVVMTAFADRTVVTIAHRVHTILSADLVMV
LKRGAILEFDKPETLLSQKDSVFASFV
Ligand information
Ligand IDATP
InChIInChI=1S/C10H16N5O13P3/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(26-10)1-25-30(21,22)28-31(23,24)27-29(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H,23,24)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyZKHQWZAMYRWXGA-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
FormulaC10 H16 N5 O13 P3
NameADENOSINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL14249
DrugBankDB00171
ZINCZINC000004261765
PDB chain6pz9 Chain C Residue 1602 [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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PDB6pz9 Mechanism of pharmacochaperoning in a mammalian K ATP channel revealed by cryo-EM.
Resolution3.65 Å
Binding residue
(original residue number in PDB)		S405 N406 W688 V715 G716 C717 G718 K719 S720 S721 Q775
Binding residue
(residue number reindexed from 1)		S169 N170 W396 V423 G424 C425 G426 K427 S428 S429 Q461
Annotation score1
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005267 potassium channel activity
GO:0005524 ATP binding
GO:0008281 sulfonylurea receptor activity
GO:0016887 ATP hydrolysis 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:0071805 potassium ion transmembrane transport
Cellular Component
GO:0005886 plasma membrane
GO:0016020 membrane
GO:0032991 protein-containing complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6pz9, PDBe:6pz9, PDBj:6pz9
PDBsum6pz9
PubMed31343405
UniProtQ09427|ABCC8_CRICR ATP-binding cassette sub-family C member 8 (Gene Name=ABCC8)

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