Structure of PDB 4f4y Chain B Binding Site BS05

Receptor Information
>4f4y Chain B (length=343) Species: 273057,330779 [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MIVIFVDFDYFFAQVEEVLNPQYKGKPLVVCVYSGRTKTSGAVATANYEA
RKLGVKAGMPIIKAMQIAPSAIYVPMRKPIYEAFSNRIMNLLNKHADKIE
VASIDEAYLDVTNKVEGNFENGIELARKIKQEILEKEKITVTVGVAPNKI
LAKIIADKSKPNGLGVIRPTEVQDFLNELDIDEIPGIGSVLARRLNELGI
QKLRDILSKNYNELEKITGKAKALYLLKLAQDEYNEPIRTRVRKSIGRYL
TLPYNTRDVKVILPYLKKAINEAYNKVNGIPMRITVIAIMEDLDILSKGK
KFKHGISIDNAYKVAEDLLRELLVRDKRRNVRRIGVKLDNIII
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 chain4f4y Chain C Residue 101 [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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PDB4f4y Y-family polymerase conformation is a major determinant of fidelity and translesion specificity.
Resolution2.338 Å
Binding residue
(original residue number in PDB)		Y10 F11 F12 A44 T45 R51 D105
Binding residue
(residue number reindexed from 1)		Y10 F11 F12 A44 T45 R51 D105
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0003684 damaged DNA binding
GO:0003887 DNA-directed DNA polymerase activity
Biological Process
GO:0006281 DNA repair

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:4f4y, PDBe:4f4y, PDBj:4f4y
PDBsum4f4y
PubMed23245850
UniProtQ4JB80|DPO4_SULAC DNA polymerase IV (Gene Name=dbh);
Q97W02|DPO4_SACS2 DNA polymerase IV (Gene Name=dbh)

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