Structure of PDB 7tys Chain E Binding Site BS04

Receptor Information

>7tys Chain E (length=1431) Species: 10034 (Cricetus cricetus)

MPLAFCGTENHSAAYRVDQGVLNNGCFVDALNVVPHVFLLFITFPILFIG
WGSQSSKVHIHHSTWLHFPGHNLRWILTFILLFVLVCEIAEGILSDGVTE
SRHLHLYMPAGMAFMAAITSVVYYHNIETSNFPKLLIALLIYWTLAFITK
TIKFVKFYDHAIGFSQLRFCLTGLLVILYGMLLLVEVNVIRVRRYIFFKT
PREVKPPEDLQDLGVRFLQPFVNLLSKGTYWWMNAFIKTAHKKPIDLRAI
AKLPIAMRALTNYQRLCVAFDAQARKDTQSPQGARAIWRALCHAFGRRLI
LSSTFRILADLLGFAGPLCIFGIVDHLGKENHVFQPKTQFLGVYFVSSQE
FLGNAYVLAVLLFLALLLQRTFLQASYYVAIETGINLRGAIQTKIYNKIM
HMSTSNLSMGEMTAGQICNLVAIDTNQLMWFFFLCPNLWTMPVQIIVGVI
LLYYILGVSALIGAAVIILLAPVQYFVATKLSQAQRTTLEHSNERLKQTN
EMLRGMKLLKLYAWESIFCSRVEVTRRKEMTSLRAFAVYTSISIFMNTAI
PIAAVLITFVGHVSFFKESDLSPSVAFASLSLFHILVTPLFLLSSVVRST
VKALVSVQKLSEFLSSAEIREEQCNFCVQIIGGFFTWTPDGIPTLSNITI
RIPRGQLTMIVGQVGCGKSSLLLATLGEMQKVSGAVFWNSNSRGPVAYAS
QKPWLLNATVEENITFESPFNKQRYKMVIEACSLQPDIDILPHGDQTQIG
ERGINLSGGQRQRISVARALYQQTNVVFLDDPFSALDVHLSDHLMQAGIL
ELLRDDKRTVVLVTHKLQYLPHADWIIAMKDGTIQREGTLKDFQRSECQL
FEHWKSSVLHQRAKIPWRACTKYLSSAGILLLSLLVFSQLLKHMVLVAID
YWLAKWTDSALVDQSVYAMVFTLLCSLGIVLCLVTSVTVEWTGLKVAKRL
HRSLLNRIILAPMRFFETTPLGSILNRFSSDCNTIDQHIPSTLECLSRST
LLCVSALTVISYVTPVFLVALLPLAVVCYFIQKYFRVASRDLQQLDDTTQ
LPLVSHFAETVEGLTTIRAFRYEARFQQKLLEYTDSNNIASLFLTAANRW
LEVCMEYIGACVVLIAAATSISNSLHRELSAGLVGLGLTYALMVSNYLNW
MVRNLADMEIQLGAVKRIHALLKTEAESYEGLLAPSLIPKNWPDQGKIQI
QNLSVRYDSSLKPVLKHVNTLISPGQKIGICGRTGSGKSSFSLAFFRMVD
MFEGRIIIDGIDIAKLPLHTLRSRLSIILQDPVLFSGTIRFNLDPEKKCS
DSTLWEALEIAQLKLVVKALPGGLDAIITEGGENFSQGQRQLFCLARAFV
RKTSIFIMDEATASIDMATENILQKVVMTAFADRTVVTIAHRVHTILSAD
LVMVLKRGAILEFDKPETLLSQKDSVFASFV

Ligand information

• Ligand ID: ATP
• InChI: InChI=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
• InChIKey: ZKHQWZAMYRWXGA-KQYNXXCUSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O)N
  CACTVS 3.341: Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]3O
  ACDLabs 10.04: O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
  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)OP(=O)(O)O)O)O)N
  CACTVS 3.341: Nc1ncnc2n(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
• Formula: C10 H16 N5 O13 P3
• Name: ADENOSINE-5'-TRIPHOSPHATE
• ChEMBL: CHEMBL14249
• DrugBank: DB00171
• ZINC: ZINC000004261765
• PDB chain: 7tys Chain E Residue 1603

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7tys Ligand-mediated Structural Dynamics of a Mammalian Pancreatic K ATP Channel.
• Resolution: 3.41 Å
• Binding residue (original residue number in PDB): N406 W688 V715 G716 C717 G718 K719 S720 S721 Q775
• Binding residue (residue number reindexed from 1): N406 W637 V664 G665 C666 G667 K668 S669 S670 Q701
• Annotation score: 1

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

External links

• PDB: RCSB:7tys, PDBe:7tys, PDBj:7tys
• PDBsum: 7tys
• PubMed: 35964676
• UniProt: Q09427|ABCC8_CRICR ATP-binding cassette sub-family C member 8 (Gene Name=ABCC8)