Structure of PDB 3ohb Chain A Binding Site BS03

Receptor Information
>3ohb Chain A (length=515) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DPHMSKFTWKELIQLGSPSKAYESSLACIAHIDMNAFFAQVEQMRCGLSK
EDPVVCVQWNSIIAVSYAARKYGISRMDTIQEALKKCSNLIPIHTAVFKK
GEDFWQYHDGCGSWVQDPAKQISVEDHKVSLEPYRRESRKALAIFKWACD
LVERASIDEVFLDLGRICFNMLMFDNEYELTGDLKLKDALSNIREAFIGG
NYDINSHLPLIPEKIKSLKFEGDVFNPEGRDLITDWDDVILALGSQVCKG
IRDSIKDILGYTTSCGLSSTKNVCKLASNYKKPDAQTIVKNDCLLDFLDC
GKFEITSFWTLGGVLGKELIDVLDLPHENSIKHIRETWPDNAGQLKEFLD
AKVKQSDYDRSTSNIDPLKTADLAEKLFKLSRGRYGLPLSSRPVVKSMMS
NKNLRGKSCNSIVDCISWLEVFCAELTSRIQDLEQEYNKIVIPRTVSISL
KTKSYEVYRKSGPVAYKGINFQSHELLKVGIKFVTDLDIKGKNKSYYPLT
KLSMTITNFDIIDLQ
Ligand information
Ligand IDDCP
InChIInChI=1S/C9H16N3O13P3/c10-7-1-2-12(9(14)11-7)8-3-5(13)6(23-8)4-22-27(18,19)25-28(20,21)24-26(15,16)17/h1-2,5-6,8,13H,3-4H2,(H,18,19)(H,20,21)(H2,10,11,14)(H2,15,16,17)/t5-,6+,8+/m0/s1
InChIKeyRGWHQCVHVJXOKC-SHYZEUOFSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)CC2O
OpenEye OEToolkits 1.5.0C1C(C(OC1N2C=CC(=NC2=O)N)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@H]2C[C@H](O)[C@@H](CO[P@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O2
OpenEye OEToolkits 1.5.0C1[C@@H]([C@H](O[C@H]1N2C=CC(=NC2=O)N)CO[P@@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2
FormulaC9 H16 N3 O13 P3
Name2'-DEOXYCYTIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL560403
DrugBankDB03258
ZINCZINC000008215945
PDB chain3ohb Chain A Residue 514 [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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PDB3ohb Structural basis for error-free replication of oxidatively damaged DNA by yeast DNA polymerase eta.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D30 M31 N32 A33 F34 F35 Y64 R67 R73 D155 K279
Binding residue
(residue number reindexed from 1)		D33 M34 N35 A36 F37 F38 Y67 R70 R76 D158 K282
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0003684 damaged DNA binding
Biological Process
GO:0006281 DNA repair

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3ohb, PDBe:3ohb, PDBj:3ohb
PDBsum3ohb
PubMed21070945
UniProtQ04049|POLH_YEAST DNA polymerase eta (Gene Name=RAD30)

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