Structure of PDB 2fna Chain A Binding Site BS01

Receptor Information
>2fna Chain A (length=352) Species: 273057 (Saccharolobus solfataricus P2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GMLFDTSPKDNRKDFFDREKEIEKLKGLRAPITLVLGLRRTGKSSIIKIG
INELNLPYIYLDLRKFEERNYISYKDFLLELQKEINKLVKRLPSLLKALK
NIQGIVIMGNEIKFNRLSFANLLESFEQASKDNVIIVLDEAQELVKLRGV
NLLPALAYAYDNLKRIKFIMSGSEMGLLYDYLRVEDPESPLFGRAFSTVE
LKPFSREEAIEFLRRGFQEADIDFKDYEVVYEKIGGIPGWLTYFGFIYLD
NKNLDFAINQTLEYAKKLILKEFENFLHGREIARKRYLNIMRTLSKCGKW
SDVKRALELEEGIEISDSEIYNYLTQLTKHSWIIKEGEKYCPSEPLISLA
FS
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 chain2fna Chain A Residue 500 [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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PDB2fna Crystal structure of a novel archaeal AAA+ ATPase SSO1545 from Sulfolobus solfataricus.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		S6 K8 F14 F15 R39 G41 K42 S43 S44 F216 P242 G243 T246
Binding residue
(residue number reindexed from 1)		S7 K9 F15 F16 R40 G42 K43 S44 S45 F212 P238 G239 T242
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0005524 ATP binding
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:2fna, PDBe:2fna, PDBj:2fna
PDBsum2fna
PubMed19089981
UniProtQ97Y08

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