Structure of PDB 1fvi Chain A Binding Site BS01

Receptor Information
>1fvi Chain A (length=264) Species: 10507 (Chlorella virus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AITKPLLAATLENIEDVQFPCLATPKIAGIRSVKQTQMLSRTFKPIRNSV
MNRLLTELLPEGSDGEISIEGATFQDTTSAVMTGHAKFSYYWFDYVTDDP
LKKYIDRVEDMKNYITVHPHILEHAQVKIIPLIPVEINNITELLQYERDV
LSKGFEGVMIRKPDGKYKFGRSTLKEGILLKMKQFKDAEATIISMTALFK
SGKVEEDVMGSIEVDYDGVVFSIGTGFDADQRRDFWQNKESYIGKMVKFK
YFEMPRFPVFIGIR
Ligand information
Ligand IDAMP
InChIInChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChIKeyUDMBCSSLTHHNCD-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.370Nc1ncnc2n(cnc12)[CH]3O[CH](CO[P](O)(O)=O)[CH](O)[CH]3O
CACTVS 3.370Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO[P](O)(O)=O)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
ACDLabs 12.01O=P(O)(O)OCC3OC(n2cnc1c(ncnc12)N)C(O)C3O
OpenEye OEToolkits 1.7.6c1nc(c2c(n1)n(cn2)C3C(C(C(O3)COP(=O)(O)O)O)O)N
FormulaC10 H14 N5 O7 P
NameADENOSINE MONOPHOSPHATE
ChEMBLCHEMBL752
DrugBankDB00131
ZINCZINC000003860156
PDB chain1fvi Chain A Residue 501 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB1fvi Crystal structure of eukaryotic DNA ligase-adenylate illuminates the mechanism of nick sensing and strand joining.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		T25 P26 K27 I28 E67 F98 M164 K186
Binding residue
(residue number reindexed from 1)		T24 P25 K26 I27 E66 F93 M159 K181
Annotation score4
Enzymatic activity
Enzyme Commision number 6.5.1.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003909 DNA ligase activity
GO:0003910 DNA ligase (ATP) activity
GO:0005524 ATP binding
Biological Process
GO:0006260 DNA replication
GO:0006281 DNA repair
GO:0006310 DNA recombination

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1fvi, PDBe:1fvi, PDBj:1fvi
PDBsum1fvi
PubMed11106756
UniProtA7RCB1

[Back to BioLiP]