Structure of PDB 6x77 Chain A Binding Site BS06

Receptor Information
>6x77 Chain A (length=438) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VACDDPDFLTSYFAHSRLHHLSAWKANLKDKFLNENIHKYTKITDKDTYI
IFHIDFDCFFATVAYLCRSSSFSACDFKRDPIVVCHGTKNSDIASCNYVA
RSYGIKNGMWVSQAEKMLPNGIKLISLPYTFEQFQLKSEAFYSTLKRLNI
FNLILPISIDEAVCVRIIPDNIHNTNTLNARLCEEIRQEIFQGTNGCTVS
IGCSDSLVLAALALKMAKPNGYNITFKSNLSEEFWSSFKLDDLPGVGHST
LSRLESTFDSPHSLNDLRKRYTLDALKASVGSKLGMKIHLALQGQDDEES
LKILYDPKEVLQRKSLSIDINWGIRFKNITQVDLFIERGCQYLLEKLNEI
NKTTSQITLKLMRRCKDAPIEPPKYMGMGRCDSFSRSSRLGIPTNEFGII
ATEMKSLYRTLGCPPMELRGLALQFNKLVDVGPDNNQL
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 chain6x77 Chain A Residue 804 [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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PDB6x77 Visualizing Rev1 catalyze protein-template DNA synthesis.
Resolution1.64 Å
Binding residue
(original residue number in PDB)		R324 D362 C365 F366 F367 A401 S402 Y405 R408 N414 D467 K525
Binding residue
(residue number reindexed from 1)		R17 D55 C58 F59 F60 A94 S95 Y98 R101 N107 D160 K218
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
View graph for
Biological Process
External links
PDB RCSB:6x77, PDBe:6x77, PDBj:6x77
PDBsum6x77
PubMed32999062
UniProtP12689|REV1_YEAST DNA repair protein REV1 (Gene Name=REV1)

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