Structure of PDB 7t1b Chain A Binding Site BS03

Receptor Information
>7t1b 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]
IVACDDPDFLTSYFAHSRLHHLSAWKANLKDKFLNENIHKYTKITDKDTY
IIFHIDFDCFFATVAYLCRSSSFSACDFKRDPIVVCHGTKNSDIASCNYV
ARSYGIKNGMWVSQAEKMLPNGIKLISLPYTFEQFQLKSEAFYSTLKRLN
IFNLILPISIDEAVCVRIIPDNIHNTNTLNARLCEEIRQEIFQGTNGCTV
SIGCSDSLVLARLALKMAKPNGYNITFKSNLSEEFWSSFKLDDLPGVGHS
TLSRLESTFDSPHSLNDLRKRYTLDALKASVGSKLGMKIHLALQGQDDEE
SLKILYDPKEVLQRKSLSIDINWGIRFKNITQVDLFIERGCQYLLEKLNE
INKTTSQITLKLMRRCKDAPIEPPKYMGMGRCDSFSRSSRLGIPTNEFGI
IATEMKSLYRTLGCPPMELRGLALQFNKLVDVGPDNNQ
Ligand information
Ligand IDCTP
InChIInChI=1S/C9H16N3O14P3/c10-5-1-2-12(9(15)11-5)8-7(14)6(13)4(24-8)3-23-28(19,20)26-29(21,22)25-27(16,17)18/h1-2,4,6-8,13-14H,3H2,(H,19,20)(H,21,22)(H2,10,11,15)(H2,16,17,18)/t4-,6-,7-,8-/m1/s1
InChIKeyPCDQPRRSZKQHHS-XVFCMESISA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)C2C(C(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)O
OpenEye OEToolkits 1.5.0C1=CN(C(=O)N=C1N)[C@H]2[C@@H]([C@@H]([C@H](O2)CO[P@](=O)(O)O[P@](=O)(O)OP(=O)(O)O)O)O
CACTVS 3.341NC1=NC(=O)N(C=C1)[CH]2O[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)[CH](O)[CH]2O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)N=C(N)C=C1)C(O)C2O
CACTVS 3.341NC1=NC(=O)N(C=C1)[C@@H]2O[C@H](CO[P@@](O)(=O)O[P@@](O)(=O)O[P](O)(O)=O)[C@@H](O)[C@H]2O
FormulaC9 H16 N3 O14 P3
NameCYTIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL223533
DrugBankDB02431
ZINCZINC000003861746
PDB chain7t1b Chain A Residue 802 [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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PDB7t1b Mechanism of nucleotide discrimination by the translesion synthesis polymerase Rev1.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		R324 L328 D362 F363 D364 C365 F367 A401 Y405 R408 N414 D467 K525
Binding residue
(residue number reindexed from 1)		R18 L22 D56 F57 D58 C59 F61 A95 Y99 R102 N108 D161 K219
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:7t1b, PDBe:7t1b, PDBj:7t1b
PDBsum7t1b
PubMed35610266
UniProtP12689|REV1_YEAST DNA repair protein REV1 (Gene Name=REV1)

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