Structure of PDB 1owl Chain A Binding Site BS01

Receptor Information
>1owl Chain A (length=473) Species: 269084 (Synechococcus elongatus PCC 6301) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
APILFWHRRDLRLSDNIGLAAARAQSAQLIGLFCLDPQILQSADMAPARV
AYLQGCLQELQQRYQQAGSRLLLLQGDPQHLIPQLAQQLQAEAVYWNQDI
EPYGRDRDGQVAAALKTAGIRAVQLWDQLLHSPDQILSGSGNPYSVYGPF
WKNWQAQPKPTPVATPTELVDLSPEQLTAIAPLLLSELPTLKQLGFDWDG
GFPVEPGETAAIARLQEFCDRAIADYDPQRNFPAEAGTSGLSPALKFGAI
GIRQAWQAASAAHALSRSDEARNSIRVWQQELAWREFYQHALYHFPSLAD
GPYRSLWQQFPWENREALFTAWTQAQTGYPIVDAAMRQLTETGWMHNRCR
MIVASFLTKDLIIDWRRGEQFFMQHLVDGDLAANNGGWQWSASSGMDPKP
LRIFNPASQAKKFDATATYIKRWLPELRHVHPKDLISGEITPIERRGYPA
PIVNHNLRQKQFKALYNQLKAAI
Ligand information
Ligand IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain1owl Chain A Residue 486 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1owl DNA apophotolyase from Anacystis nidulans: 1.8 A structure, 8-HDF reconstitution and X-ray-induced FAD reduction.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		R11 M47 R51 K248
Binding residue
(residue number reindexed from 1)		R9 M45 R49 K246
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E283 W286 W314 N349 W367 W390
Catalytic site (residue number reindexed from 1) E281 W284 W312 N347 W365 W388
Enzyme Commision number 4.1.99.3: deoxyribodipyrimidine photo-lyase.
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003677 DNA binding
GO:0003904 deoxyribodipyrimidine photo-lyase activity
GO:0016829 lyase activity
GO:0071949 FAD binding
GO:0097159 organic cyclic compound binding
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006281 DNA repair
GO:0006950 response to stress
GO:0009416 response to light stimulus

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1owl, PDBe:1owl, PDBj:1owl
PDBsum1owl
PubMed15213381
UniProtP05327|PHR_SYNP6 Deoxyribodipyrimidine photo-lyase (Gene Name=phr)

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