Structure of PDB 2aq4 Chain A Binding Site BS05

Receptor Information
>2aq4 Chain A (length=428) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KRIVACDDPDFLTSYFAHSRLHHLSAWKANLKDKFLNENIHKYTKITDKD
TYIIFHIDFDCFFATVAYLCRSSSFSACDFKRDPIVVCHGTKNSDIASCN
YVARSYGIKNGMWVSQAEKMLPNGIKLISLPYTFEQFQLKSEAFYSTLKR
LNIFNLILPISIDEAVCVRIIPDTLNARLCEEIRQEIFQGTNGCTVSIGC
SDSLVLARLALKMAKPNGYNITFKSNLSEEFWSSFKLDDLPGVGHSTLSR
LESTFDSPHSLNDLRKRYTLDALKASVGSKLGMKIHLALQGQDDEESLKI
LYDPKEVLQRKSLSIDINWGIRFKNITQVDLFIERGCQYLLEKLNEINKT
TSQITLKLMRRCKDAPIEPPKYMGMGRCDSFSRSSRLGIPTNEFGIIATE
MKSLYRTLGCPPMELRGLALQFNKLVDV
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 chain2aq4 Chain A Residue 201 [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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PDB2aq4 Rev1 employs a novel mechanism of DNA synthesis using a protein template.
Resolution2.32 Å
Binding residue
(original residue number in PDB)		R324 L328 D362 F363 D364 C365 F366 F367 A401 S402 Y405 R408 N414 D467 K525
Binding residue
(residue number reindexed from 1)		R20 L24 D58 F59 D60 C61 F62 F63 A97 S98 Y101 R104 N110 D163 K215
Annotation score4
Enzymatic activity
Enzyme Commision number 2.7.7.-
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
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Biological Process
External links
PDB RCSB:2aq4, PDBe:2aq4, PDBj:2aq4
PDBsum2aq4
PubMed16195463
UniProtP12689|REV1_YEAST DNA repair protein REV1 (Gene Name=REV1)

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