Structure of PDB 7jk1 Chain B Binding Site BS02

Receptor Information
>7jk1 Chain B (length=252) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPPSIWRLFHRQAQAFNFVKSCKEDVHVFALECKVGDGQRIYLVTTYAEF
WFYYKSRKNLLHCYEVIPENAVCKLYFDLEFNKPANPGADGKKMVALLIE
YVCKALQELYGVNCSAEDVLNLDSSTDEKFSRHLIFQLHDVAFKDNIHVG
NFLRKILQPALDLLPDLSFLVVKNNMGEKHLFVDLGVYTRNRNFRLYKSS
KIGKRVALEVTEDNKFFPIQSKDVSDEYQYFLSSLVSNVRFSDTLRILTC
EP
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 chain7jk1 Chain B Residue 401 [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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PDB7jk1 Structural basis of DNA synthesis opposite 8-oxoguanine by human PrimPol primase-polymerase.
Resolution2.62 Å
Binding residue
(original residue number in PDB)		Y100 D114 K165 S167 H169 R288 N289 F290 R291 K297
Binding residue
(residue number reindexed from 1)		Y64 D78 K129 S131 H133 R192 N193 F194 R195 K201
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.102: DNA primase AEP.
2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0003887 DNA-directed DNA polymerase activity
GO:0003896 DNA primase activity
Biological Process
GO:0006269 DNA replication, synthesis of primer
GO:0042276 error-prone translesion synthesis

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:7jk1, PDBe:7jk1, PDBj:7jk1
PDBsum7jk1
PubMed34188055
UniProtQ96LW4|PRIPO_HUMAN DNA-directed primase/polymerase protein (Gene Name=PRIMPOL)

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