Structure of PDB 7wit Chain A Binding Site BS01

Receptor Information
>7wit Chain A (length=1133) Species: 9913,10036 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LQPFVNLLSKGTYWWMNAFIKTAHKKPIDLRAIGKLPIAMRALTNYQRLC
VAFDAQARKGARAIWRALCHAFGRRLILSSTFRILADLLGFAGPLCIFGI
VDHLGKEFLGNAYVLAVLLFLALLLQRTFLQASYYVAIETGINLRGAIQT
KIYNKIMHLSTSNTAGQICNLVAIDTNQLMWFFFLCPNLWAMPVQIIVGV
ILLYYILGVSALIGAAVIILLAPVQYFVATKLSQAQRSTLEHSNERLKQT
NEMLRGMKLLKLYAWESIFCSRVEVTRRKEMTSLRAFAVYTSISIFMNTA
IPIAAVLITFVGHVSFFKESDLSPSVAFASLSLFHILVTPLFLLSSVVRS
TVKALVSVQKLSEFLSSCVQIIGGFFTWTPDGIPTLSNITIRIPRGQLTM
IVGQVGCGKSSLLLATLGEMQKVSGAVFWGPVAYASQKPWLLNATVEENI
TFESPFNKQRYKMVIEACSLQPDIDILPHGDQTQIGERGINLSGGQRQRI
SVARALYQQTNVVFLDDPFSALDVHLSDHLMQAGILELLRDDKRTVVLVT
HKLQYLPHADWIIAMKDGTIQREGTLKDFQRSEPWRACTKYLSSAGILLL
SLLVFSQLLKHMVLVAIDYWLAKWTDDQSVYAMVFTLLCSLGIVLCLVTS
VTVEWTGLKVAKRLHRSLLNRIILAPMRFFETTPLGSILNRFSSDCNTID
QHIPSTLECLSRSTLLCVSALTVISYVTPVFLVALLPLAVVCYFIQKYFR
VASRDLQQLDDTTQLPLLSHFAETVEGLTTIRAFRYEARFQQKLLEYTDS
NNIASLFLTAANRWLEVRMEYIGACVVLIAAATSISNSLHRELSAGLVGL
GLTYALMVSNYLNWMVRNLADMEIQLGAVKRIHALLKTEAESYPDQGKIQ
IQNLSVRYDSSLKPVLKHVNALISPGQKIGICGRTGSGKSSFSLAFFRMV
DMFEGRIIIDGIDIAKLPLHTLRSRLSIILQDPVLFSGTIRFNLDPEKKC
SDSTLWEALEIAQLKLVVKALPGGLDAIITEGGENFSQGQRQLFCLARAF
VRKTSIFIMDEATASIDMATENILQKVVMTAFADRTVVTIAHRVHTILSA
DLVMVLKRGAILEFDKPETLLSQKDSVFASFVR
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 chain7wit Chain A Residue 2001 [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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PDB7wit Structural Insights Into the High Selectivity of the Anti-Diabetic Drug Mitiglinide
Resolution3.21 Å
Binding residue
(original residue number in PDB)		S405 W688 G716 C717 G718 K719 S720 S721
Binding residue
(residue number reindexed from 1)		S162 W378 G406 C407 G408 K409 S410 S411
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0008281 sulfonylurea receptor activity
GO:0016887 ATP hydrolysis activity
GO:0140359 ABC-type transporter activity
Biological Process
GO:0006813 potassium ion transport
GO:0055085 transmembrane transport
Cellular Component
GO:0016020 membrane

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:7wit, PDBe:7wit, PDBj:7wit
PDBsum7wit
PubMed35847046
UniProtA0A1U7R319;
A2VDS4

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