Structure of PDB 7spy Chain A Binding Site BS01

Receptor Information
>7spy Chain A (length=322) Species: 184922 (Giardia lamblia ATCC 50803) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATYMLPSLHDILDQHTYKWIFFGGKGGVGKTTTSSSFSVLMAETRPNEKF
LLLSTNPAHNISDAFDQKFGKAPTQVSGIPNLYAMEVDASGDMFGGLNDL
ITCASSFIKDGTFPGMDEMWSFINLIKLIDTNEYSTVIFDTAPTGHTLRF
LELPETVNKVLEIFTRLKDNMGGMLSMVMQTMGLSQNDIFGLIDKTYPKI
DVVKRISAEFRDPSLCTFVGVCIPEFLSLYETERLVQRLAVLDMDCHAIV
INFVLDANAATPCSMCRSRARMQNKYIDQINELYDDFNIVLSPLRHDEVR
GIANLRDYAETLIKPYRFCWSA
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 chain7spy Chain A Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7spy Structurally derived universal mechanism for the catalytic cycle of the tail-anchored targeting factor Get3.
Resolution2.23 Å
Binding residue
(original residue number in PDB)		G23 G24 G26 K27 T28 T29 N276 F277 R319 V323
Binding residue
(residue number reindexed from 1)		G26 G27 G29 K30 T31 T32 N252 F253 R295 V299
Annotation score5
Enzymatic activity
Enzyme Commision number 3.6.-.-
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016787 hydrolase activity
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
Biological Process
GO:0045048 protein insertion into ER membrane
Cellular Component
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7spy, PDBe:7spy, PDBj:7spy
PDBsum7spy
PubMed35851188
UniProtA8B3G9|ASNA_GIAIC ATPase ASNA1 homolog (Gene Name=GL50803_7953)

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