Structure of PDB 7rua Chain A Binding Site BS01

Receptor Information
>7rua Chain A (length=305) Species: 7955 (Danio rerio) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPLEPTLKNIIEQKSLKWIFVGGKGGVGKTTCSCSLAVQLAAVRESVLII
STNPAHNISDAFDQKFSKVPTKVKGYDNLFAMEIDPSLGVAELPDEFFEE
DNMLSMGKKMMQEAMSAFPGIDEAMSYAEVMRLVKGMNFSVVVFDTAPTG
HTLRLLNFPTIVERGLGRLMQIKNQDQLASKLEETLPVIRSVSEQFKDPE
QTTFICVCIAEFLSLYETERLIQELAKCRIDTHNIIVNQLVFPDNERPCK
MCEARHKIQSKYLDQMEDLYEDFHIVKLPLLPHEVRGADKVNTFSKQLLE
PYSPP
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 chain7rua 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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PDB7rua Structural insights into metazoan pretargeting GET complexes.
Resolution3.4 Å
Binding residue
(original residue number in PDB)		G41 G43 K44 T45 T46 N272 L314 L315 F328
Binding residue
(residue number reindexed from 1)		G26 G28 K29 T30 T31 N238 L280 L281 F294
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:0006620 post-translational protein targeting to endoplasmic reticulum membrane
GO:0007416 synapse assembly
GO:0045048 protein insertion into ER membrane
GO:0071816 tail-anchored membrane protein insertion into ER membrane
Cellular Component
GO:0005737 cytoplasm
GO:0005783 endoplasmic reticulum
GO:0043529 GET complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7rua, PDBe:7rua, PDBj:7rua
PDBsum7rua
PubMed34887561
UniProtQ6IQE5|GET3_DANRE ATPase GET3 (Gene Name=get3)

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