Structure of PDB 5wm1 Chain A Binding Site BS06

Receptor Information
>5wm1 Chain A (length=433) Species: 559292 (Saccharomyces cerevisiae S288C) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RIVACDDPDFLTSYFAHSRLHHLSAWKANLKDKFLNENIHKYTKITDKDT
YIIFHIDFDCFFATVAYLCRSSSFSACDFKRDPIVVCHGTKNSDIASCNY
VARSYGIKNGMWVSQAEKMLPNGIKLISLPYTFEQFQLKSEAFYSTLKRL
NIFNLILPISIDEAVCVRIIPDNIHNTNTLNARLCEEIRQEIFQGTNGCT
VSIGCSDSLVLARLALKMAKPNGYNITFKSNLSEEFWSSFKLDDLPGVGH
STLSRLESTFDSPHSLNDLRKRYTLDALKASVGSKLGMKIHLALQGQDDE
ESLKILYDPKEVLQRKSLSIDINWGIRFKNITQVDLFIERGCQYLLEKLN
EINKTTSQITLKLMRRCKDAPIEPPKYMGMGRCDSFSRSSRLGIPTNEFG
IIATEMKSLYRTLGCPPMELRGLALQFNKLVDV
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 chain5wm1 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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PDB5wm1 Mechanism of error-free replication across benzo[a]pyrene stereoisomers by Rev1 DNA polymerase.
Resolution1.85 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)		R19 L23 D57 F58 D59 C60 F61 F62 A96 S97 Y100 R103 N109 D162 K220
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

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Molecular Function
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Biological Process
External links
PDB RCSB:5wm1, PDBe:5wm1, PDBj:5wm1
PDBsum5wm1
PubMed29042535
UniProtP12689|REV1_YEAST DNA repair protein REV1 (Gene Name=REV1)

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