Structure of PDB 2kqd Chain A Binding Site BS02

Receptor Information
>2kqd Chain A (length=55) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPLGSGSEGNKVKRTSCMYGANCYRKNPVHFQHFSHPGDSDYGGVQIVGQ
DETDD
Ligand information
Ligand IDADN
InChIInChI=1S/C10H13N5O4/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(18)6(17)4(1-16)19-10/h2-4,6-7,10,16-18H,1H2,(H2,11,12,13)/t4-,6-,7-,10-/m1/s1
InChIKeyOIRDTQYFTABQOQ-KQYNXXCUSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3O[CH](CO)[CH](O)[CH]3O
ACDLabs 10.04n2c1c(ncnc1n(c2)C3OC(C(O)C3O)CO)N
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)CO)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3C(C(C(O3)CO)O)O)N
FormulaC10 H13 N5 O4
NameADENOSINE
ChEMBLCHEMBL477
DrugBankDB00640
ZINCZINC000002169830
PDB chain2kqd Chain A Residue 1002 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2kqd Solution structures of the two PBZ domains from human APLF and their interaction with poly(ADP-ribose).
ResolutionN/A
Binding residue
(original residue number in PDB)		Y381 N384 C385 Y386
Binding residue
(residue number reindexed from 1)		Y19 N22 C23 Y24
Annotation score4
Enzymatic activity
Enzyme Commision number 3.1.-.-
Gene Ontology
Molecular Function
GO:0003906 DNA-(apurinic or apyrimidinic site) endonuclease activity
GO:0008408 3'-5' exonuclease activity
Biological Process
GO:0006302 double-strand break repair

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Molecular Function
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Biological Process
External links
PDB RCSB:2kqd, PDBe:2kqd, PDBj:2kqd
PDBsum2kqd
PubMed20098424
UniProtQ8IW19|APLF_HUMAN Aprataxin and PNK-like factor (Gene Name=APLF)

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