Structure of PDB 7jkp Chain B Binding Site BS02

Receptor Information
>7jkp Chain B (length=251) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
EPPSIWRLFHRQAQAFNFVKSCKEDVHVFALECKVGDGQRIYLVTTYAEF
WFYYKSRKNLLHCYEVIPENAVCKLYFDLEFNKPANPGADGKKMVALLIE
YVCKALQELYGVNCSAEDVLNLDSSTDEKFSRHLIFQLHDVAFKDNIHVG
NFLRKILQPALDLLDLSFLVVKNNMGEKHLFVDLGVYTRNRNFRLYKSSK
IGKRVALEVTEDNKFFPIQSKDVSDEYQYFLSSLVSNVRFSDTLRILTCE
P
Ligand information
Ligand IDDTP
InChIInChI=1S/C10H16N5O12P3/c11-9-8-10(13-3-12-9)15(4-14-8)7-1-5(16)6(25-7)2-24-29(20,21)27-30(22,23)26-28(17,18)19/h3-7,16H,1-2H2,(H,20,21)(H,22,23)(H2,11,12,13)(H2,17,18,19)/t5-,6+,7+/m0/s1
InChIKeySUYVUBYJARFZHO-RRKCRQDMSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)[C@H]3C[C@@H]([C@H](O3)CO[P@](=O)(O)O[P@@](=O)(O)OP(=O)(O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[CH]3C[CH](O)[CH](CO[P](O)(=O)O[P](O)(=O)O[P](O)(O)=O)O3
OpenEye OEToolkits 1.5.0c1nc(c2c(n1)n(cn2)C3CC(C(O3)COP(=O)(O)OP(=O)(O)OP(=O)(O)O)O)N
CACTVS 3.341Nc1ncnc2n(cnc12)[C@H]3C[C@H](O)[C@@H](CO[P@@](O)(=O)O[P@](O)(=O)O[P](O)(O)=O)O3
ACDLabs 10.04O=P(O)(O)OP(=O)(O)OP(=O)(O)OCC3OC(n2cnc1c(ncnc12)N)CC3O
FormulaC10 H16 N5 O12 P3
Name2'-DEOXYADENOSINE 5'-TRIPHOSPHATE
ChEMBLCHEMBL335538
DrugBankDB03222
ZINCZINC000008215662
PDB chain7jkp 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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PDB7jkp Structural basis of DNA synthesis opposite 8-oxoguanine by human PrimPol primase-polymerase.
Resolution2.592 Å
Binding residue
(original residue number in PDB)		Y100 D114 S167 H169 R288 N289 F290 R291 K297
Binding residue
(residue number reindexed from 1)		Y64 D78 S131 H133 R191 N192 F193 R194 K200
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:7jkp, PDBe:7jkp, PDBj:7jkp
PDBsum7jkp
PubMed34188055
UniProtQ96LW4|PRIPO_HUMAN DNA-directed primase/polymerase protein (Gene Name=PRIMPOL)

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