Structure of PDB 3si8 Chain A Binding Site BS06

Receptor Information
>3si8 Chain A (length=422) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PHMATGQDRVVALVDMDCFFVQVEQRQNPHLRNKPCAVVQYKSWKGGGII
AVSYEARAFGVTRSMWADDAKKLCPDLLLAQVRESRGKANLTKYREASVE
VMEIMSRFAVIERASIDEAYVDLTSAVQERLQKLQGQPISADLLPSTYIE
GLPQGVQKEGMRKQGLFQWLDSLQIDNLTSPDLQLTVGAVIVEEMRAAIE
RETGFQCSAGISHNKVLAKLACGLNKPNRQTLVSHGSVPQLFSQMPIRKI
RSLGGKLGASVIEILGIEYMGELTQFTESQLQSHFGEKNGSWLYAMCRGI
EHDPVKPRQLPKTIGCSKNFPGKTALATREQVQWWLLQLAQELEERLTKD
RNDNDRVATQLVVSIRVQGDKRLSSLRRCCALTRYDAHKMSHDAFTVIKN
CNIQTEWSPPLTMLFLCATKFS
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain3si8 Chain A Residue 451 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3si8 Structure and mechanism of human DNA polymerase eta.
Resolution2.15 Å
Binding residue
(original residue number in PDB)		D13 D115 E116
Binding residue
(residue number reindexed from 1)		D15 D117 E118
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0003684 damaged DNA binding
Biological Process
GO:0006281 DNA repair

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Molecular Function
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Biological Process
External links
PDB RCSB:3si8, PDBe:3si8, PDBj:3si8
PDBsum3si8
PubMed20577208
UniProtQ9Y253|POLH_HUMAN DNA polymerase eta (Gene Name=POLH)

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