Structure of PDB 1iqu Chain A Binding Site BS01

Receptor Information
>1iqu Chain A (length=415) Species: 274 (Thermus thermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GPLLVWHRGDLRLHDHPALLEALARGPVVGLVVLDPNNLKTTPRRRAWFL
ENVRALREAYRARGGALWVLEGLPWEKVPEAARRLKAKAVYALTSHTPYG
RYRDGRVREALPVPLHLLPAPHLLPPDLPRAYRVYTPFSRLYRGAAPPLP
PPEALPKGPEEGEIPREDPGLPLPEPGEEAALAGLRAFLEAKLPRYAEER
DRLDGEGGSRLSPYFALGVLSPRLAAWEAERRGGEGARKWVAELLWRDFS
YHLLYHFPWMAERPLDPRFQAFPWQEDEALFQAWYEGKTGVPLVDAAMRE
LHATGFLSNRARMNAAQFAVKHLLLPWKRCEEAFRHLLLDGDRAVNLQGW
QWAGGLGVDAAPYFRVFNPVLQGERHDPEGRWLKRWAPEYPSYAPKDPVV
DLEEARRRYLRLARD
Ligand information
Ligand IDTDR
InChIInChI=1S/C5H6N2O2/c1-3-2-6-5(9)7-4(3)8/h2H,1H3,(H2,6,7,8,9)
InChIKeyRWQNBRDOKXIBIV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341
OpenEye OEToolkits 1.5.0		CC1=CNC(=O)NC1=O
ACDLabs 10.04O=C1C(=CNC(=O)N1)C
FormulaC5 H6 N2 O2
NameTHYMINE
ChEMBLCHEMBL993
DrugBankDB03462
ZINCZINC000000157062
PDB chain1iqu 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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PDB1iqu Crystal structure of thermostable DNA photolyase: pyrimidine-dimer recognition mechanism.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		W247 N310 M314 Q349 W353
Binding residue
(residue number reindexed from 1)		W246 N309 M313 Q348 W352
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E244 W247 W275 N310 W328 W351
Catalytic site (residue number reindexed from 1) E243 W246 W274 N309 W327 W350
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

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Molecular Function
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Biological Process
External links
PDB RCSB:1iqu, PDBe:1iqu, PDBj:1iqu
PDBsum1iqu
PubMed11707580
UniProtP61497|PHR_THET8 Deoxyribodipyrimidine photo-lyase (Gene Name=phr)

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