Structure of PDB 8hac Chain B Binding Site BS01

Receptor Information
>8hac Chain B (length=327) Species: 556484 (Phaeodactylum tricornutum CCAP 1055/1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDLPDPSLKNIIDQTTLQWVFVGGKGGVGKTTTSCCLGVQLAKSRTKVLL
VSTDPAHNLSDAFCQKIGREPTPIHGFDNLCAMEIDNDVFGQMFNDLQNS
IPGIDEAMSFSELMKQVQQLDFDVVVFDTAPTGHTLRLLSFPTILEKAFA
KVWELKDRFGGLIGQATALMSGGNNPAAAQEQLLGKLEETRAVINKVNQA
FQDPTKTTFVCVCIPEFLSIYETERLVQELSKYGIDSHNIVVNQVLFPEK
DAEELSAWYEANGATLPKEAREICSKLLARKRMQDKYIGQCFDLYGDDFH
VVLMPLLDYEVRGVEKLKTFSELLVDP
Ligand information
Ligand IDADP
InChIInChI=1S/C10H15N5O10P2/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(24-10)1-23-27(21,22)25-26(18,19)20/h2-4,6-7,10,16-17H,1H2,(H,21,22)(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyXTWYTFMLZFPYCI-KQYNXXCUSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO[P@](=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)[CH](O)[CH]3O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)OP(=O)(O)O)O)O)N
FormulaC10 H15 N5 O10 P2
NameADENOSINE-5'-DIPHOSPHATE
ChEMBLCHEMBL14830
DrugBankDB16833
ZINCZINC000012360703
PDB chain8hac Chain B Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8hac A novel dimer configuration of a diatom Get3 forming a tetrameric complex with its tail-anchored membrane cargo
Resolution2.32 Å
Binding residue
(original residue number in PDB)		G30 G32 K33 T34 T35 N260 P322 L323 L324 E327 V328
Binding residue
(residue number reindexed from 1)		G27 G29 K30 T31 T32 N243 P305 L306 L307 E310 V311
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:0045048 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:8hac, PDBe:8hac, PDBj:8hac
PDBsum8hac
PubMed38867239
UniProtB7G933

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