Structure of PDB 2c53 Chain A Binding Site BS01

Receptor Information
>2c53 Chain A (length=228) Species: 10298 (Human alphaherpesvirus 1) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LDWTTFRRVFLIDDAWRPLMEPELANPLTAHLLAEYNRRCQTEEVLPPRE
DVFSWTRYCTPDEVRVVIIGQNPYHHPGQAHGLAFSVRANVPPPPSLRNV
LAAVKNCYPEARMSGHGCLEKWARDGVLLLNTTLTVKRGAAASHSRIGWD
RFVGGVIRRLAARRPGLVFMLWGTHAQNAIRPDPRVHCVLKFSNPSPLSK
VPFGTCQHFLVANRYLETRSISPIDWSV
Ligand information
Ligand IDDUR
InChIInChI=1S/C9H12N2O5/c12-4-6-5(13)3-8(16-6)11-2-1-7(14)10-9(11)15/h1-2,5-6,8,12-13H,3-4H2,(H,10,14,15)/t5-,6+,8+/m0/s1
InChIKeyMXHRCPNRJAMMIM-SHYZEUOFSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C1NC(=O)N(C=C1)C2OC(C(O)C2)CO
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=CC(=O)NC2=O)CO)O
CACTVS 3.341OC[CH]1O[CH](C[CH]1O)N2C=CC(=O)NC2=O
CACTVS 3.341OC[C@H]1O[C@H](C[C@@H]1O)N2C=CC(=O)NC2=O
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=O)NC2=O)CO)O
FormulaC9 H12 N2 O5
Name2'-DEOXYURIDINE
ChEMBLCHEMBL353955
DrugBankDB02256
ZINCZINC000000155696
PDB chain2c53 Chain A Residue 1245 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2c53 A Comparative Study of Uracil-DNA Glycosylases from Human and Herpes Simplex Virus Type 1.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G86 Q87 N88 Y90 A100 F101 S112 N147 S212
Binding residue
(residue number reindexed from 1)		G70 Q71 N72 Y74 A84 F85 S96 N131 S196
Annotation score4
Enzymatic activity
Catalytic site (original residue number in PDB) N88 Y90 F101 N210
Catalytic site (residue number reindexed from 1) N72 Y74 F85 N194
Enzyme Commision number 3.2.2.27: uracil-DNA glycosylase.
Gene Ontology
Molecular Function
GO:0004844 uracil DNA N-glycosylase activity
Biological Process
GO:0006281 DNA repair
GO:0006284 base-excision repair

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Molecular Function
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Biological Process
External links
PDB RCSB:2c53, PDBe:2c53, PDBj:2c53
PDBsum2c53
PubMed16306042
UniProtP10186|UNG_HHV11 Uracil-DNA glycosylase (Gene Name=UL2)

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