Structure of PDB 7t18 Chain A Binding Site BS06

Receptor Information
>7t18 Chain A (length=439) Species: 4932 (Saccharomyces cerevisiae) [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
IIATEMKSLYRTLGCPPMELRGLALQFNKLVDVGPDNNQ
Ligand information
Ligand IDTTP
InChIInChI=1S/C10H17N2O14P3/c1-5-3-12(10(15)11-9(5)14)8-2-6(13)7(24-8)4-23-28(19,20)26-29(21,22)25-27(16,17)18/h3,6-8,13H,2,4H2,1H3,(H,19,20)(H,21,22)(H,11,14,15)(H2,16,17,18)/t6-,7+,8+/m0/s1
InChIKeyNHVNXKFIZYSCEB-XLPZGREQSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O
CACTVS 3.341CC1=CN([CH]2C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC2OC(N1C(=O)NC(=O)C(=C1)C)CC2O
OpenEye OEToolkits 1.5.0CC1=CN(C(=O)NC1=O)C2CC(C(O2)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O
CACTVS 3.341CC1=CN([C@H]2C[C@H](O)[C@@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O2)C(=O)NC1=O
FormulaC10 H17 N2 O14 P3
NameTHYMIDINE-5'-TRIPHOSPHATE
ChEMBLCHEMBL363559
DrugBankDB02452
ZINCZINC000008215959
PDB chain7t18 Chain A Residue 805 [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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PDB7t18 Mechanism of nucleotide discrimination by the translesion synthesis polymerase Rev1.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		R324 L328 D362 D364 C365 F366 F367 S402 Y405 R408 N414 D467 K525
Binding residue
(residue number reindexed from 1)		R19 L23 D57 D59 C60 F61 F62 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:7t18, PDBe:7t18, PDBj:7t18
PDBsum7t18
PubMed35610266
UniProtP12689|REV1_YEAST DNA repair protein REV1 (Gene Name=REV1)

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