Structure of PDB 1fnn Chain A Binding Site BS01

Receptor Information
>1fnn Chain A (length=379) Species: 13773 (Pyrobaculum aerophilum) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AIVVDDSVFSPSYVPKRLPHREQQLQQLDILLGNWLRNPGHHYPRATLLG
RPGTGKTVTLRKLWELYKDKTTARFVYINGFIYRNFTAIIGEIARSLNIP
FPRRGLSRDEFLALLVEHLRERDLYMFLVLDDAFNLAPDILSTFIRLGQE
ADKLGAFRIALVIVGHNDAVLNNLDPSTRGIMGKYVIRFSPYTKDQIFDI
LLDRAKAGLAEGSYSEDILQMIADITGAQTPLDTNRGDARLAIDILYRSA
YAAQQNGRKHIAPEDVRKSSKEVLFGISEEVLIGLPLHEKLFLLAIVRSL
KISHTPYITFGDAEESYKIVCEEYGERPRVHSQLWSYLNDLREKGIVETR
QNTTLISIGTEPLDTLEAVITKLIKEELR
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 chain1fnn Chain A Residue 398 [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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PDB1fnn Structure and function of Cdc6/Cdc18: implications for origin recognition and checkpoint control.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		P15 L18 P19 G53 T54 G55 K56 T57 V58 Y192 I200 R204 R240 I243
Binding residue
(residue number reindexed from 1)		P15 L18 P19 G53 T54 G55 K56 T57 V58 Y192 I200 R204 R240 I243
Annotation score5
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0005524 ATP binding
GO:0016887 ATP hydrolysis activity
GO:0046872 metal ion binding
Biological Process
GO:0006260 DNA replication
GO:0051301 cell division

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1fnn, PDBe:1fnn, PDBj:1fnn
PDBsum1fnn
PubMed11030343
UniProtQ8ZYK1

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