Structure of PDB 6hec Chain L Binding Site BS01

Receptor Information
>6hec Chain L (length=390) Species: 224325 (Archaeoglobus fulgidus DSM 4304) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LLEKLKKLEEDYYKLRELYRRLEDEKKFIESERIRYEREVRRLRSEVERL
RSPPLLVGVVSDILEDGRVVVKSSTGPKFVVNTSQYINEEELKPGARVAL
NQQTLAIVNVLPTSKDPMVYGFEVEEKPEVSYEDIGGLDVQIEEIREAVE
LPLLKPELFAEVGIEPPKGVLLYGPPGTGKTLLAKAVANQTRATFIRVVG
SEFVQKYIGEGARLVREVFQLAKEKAPSIIFIDELDAIAARRTNSDTSGD
REVQRTMMQLLAELDGFDPRGDVKVIGATNRIDILDPAILRPGRFDRIIE
VPLPTFEGRIQIFKIHTRKMKLAEDVDFKELARITEGASGADIKAICTEA
GMFAIREERAKVTMLDFTKAIEKVLKKTTPIPDLKGVMFV
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 chain6hec Chain L Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6hec Cryo-EM structures of the archaeal PAN-proteasome reveal an around-the-ring ATPase cycle.
Resolution6.95 Å
Binding residue
(original residue number in PDB)		G185 G187 K188 T189 L190 E242 H324 G348 A349
Binding residue
(residue number reindexed from 1)		G177 G179 K180 T181 L182 E234 H316 G340 A341
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0036402 proteasome-activating activity
Biological Process
GO:0010498 proteasomal protein catabolic process
GO:0043161 proteasome-mediated ubiquitin-dependent protein catabolic process
GO:0043335 protein unfolding
GO:1901800 positive regulation of proteasomal protein catabolic process
Cellular Component
GO:0000502 proteasome complex
GO:0005737 cytoplasm
GO:0008540 proteasome regulatory particle, base subcomplex
GO:0022623 proteasome-activating nucleotidase complex

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:6hec, PDBe:6hec, PDBj:6hec
PDBsum6hec
PubMed30559193
UniProtO28303|PAN_ARCFU Proteasome-activating nucleotidase (Gene Name=pan)

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