Structure of PDB 8b6k Chain A Binding Site BS04

Receptor Information
>8b6k Chain A (length=1108) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
YALSAQQLLNASKIDDIDSMMGFERYVPPQYNGRFDAKDIDQIPGRVGWL
TNMHATLVSQEQGISGVDFYFLDEEGGSFKSTVVYDPYFFIACNDESRVN
DVEELVKKYLESCLKSLQIIRKEDLTMDNHLLGLQKTLIKLSFVNSNQLF
EARKLLRPILQDNANNNVQRNIYNKVDAKHLIEDIREYDVPYHVRVSIDK
DIRVGKWYKVTQQGFIEDTRKIAFADPVVMAFAIATTKPPLKFPDSAVDQ
IMMISYMIDGEGFLITNREIISEDIEDFEYTPKPEYPGFFTIFNENDEVA
LLQRFFEHIRDVRPTVISTFNGDFFDWPFIHNRSKIHGLDMFDEIGFAPD
AEGEYKSSYCSHMDCFRWVKRDSYLPQGSQGLKAVTQSKLGYNPIELDPE
LMTPYAFEKPQHLSEYSVSDAVATYYLYMKYVHPFIFSLCTIIPLNPDET
LRKGTGTLCEMLLMVQAYQHNILLPNKHTDPIERFYDGHLLESETYVGGH
VESLEAGVFRSDLKNEFKIDPSAIDELLQELPEALKFSVEVENKSSVDKV
TNFEEIKNQITQKLLELKENNIRNELPLIYHVDVASGYPNIMTTNRLQPD
SIKTCARKLKWAWRGEFFPSKMDEYNMIKRALQNETFPNKNKVLTFDELS
YADQVIHIKKRLTEYSRKVYHRVKVSEIVEREAIVCQRENPFYVDTVKSF
RDRRYEFKGLAKTWKGNLSKIDPSDKHARDEAKKMIVLYDSLQLAHKVIL
NSFYGYVMRKGSRWYSMEMAGITCLTGATIIQMARALVERVGRPLELDTD
GIWCILPKSFPETYFFTLENGKKLYLSYPCSMLNYRVHQKFTNHQYQELK
DPLNYIYETHSENTIFFEVDGPYKAMILPSSKEEGKGIKKRYAVFNEDGS
LAELKGFELKRRGELQLIKNFQSDIFKVFLEGDTLEGCYSAVASVCNRWL
DVLDSHGLMLEDEDLVSLICENRSMSKTLKEYEGQKSTSITTARRLGDFL
GEDMVKDKGLQCKYIISSKPFNAPVTERAIPVAIFSADIPIKRSFLRRWT
LDPSLEDLDIRTIIDWGYYRERLGSAIQKIITIPAALQGVSNPVPRVEHP
DWLKRKIA
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 chain8b6k Chain A Residue 1202 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8b6k A sensor complements the steric gate when DNA polymerase epsilon discriminates ribonucleotides.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		D640 V641 A642 S643 G644 Y645 R781 K785 K824 N828 D877
Binding residue
(residue number reindexed from 1)		D583 V584 A585 S586 G587 Y588 R704 K708 K747 N751 D800
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
3.1.11.-
Gene Ontology
Molecular Function
GO:0000166 nucleotide binding
GO:0003676 nucleic acid binding
GO:0003677 DNA binding
GO:0003887 DNA-directed DNA polymerase activity
Biological Process
GO:0006260 DNA replication
GO:0006281 DNA repair
Cellular Component
GO:0008622 epsilon DNA polymerase complex

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:8b6k, PDBe:8b6k, PDBj:8b6k
PDBsum8b6k
PubMed37819038
UniProtP21951|DPOE_YEAST DNA polymerase epsilon catalytic subunit A (Gene Name=POL2)

[Back to BioLiP]