Structure of PDB 4yr0 Chain A Binding Site BS05

Receptor Information
>4yr0 Chain A (length=421) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PHMATGQDRVVALVDMDCFFVQVEQRQNPHLRNKPCAVVQYKSWKGGGII
AVSYEARAFGVTMSMWADDAKKLCPDLLLAQVRESRGKANLTKYREASVE
VMEIMSRFAVIERASIDEAYVDLTSAVQERLQKLGQPISADLLPSTYIEG
LPQVQKEGMRKQGLFQWLDSLQIDNLTSPDLQLTVGAVIVEEMRAAIERE
TGFQCSAGISHNKVLAKLACGLNKPNRQTLVSHGSVPQLFSQMPIRKIRS
LGGKLGASVIEILGIEYMGELTQFTESQLQSHFGEKNGSWLYAMCRGIEH
DPVKPRQLPKTIGCSKNFPGKTALATREQVQWWLLQLAQELEERLTKDRN
DNDRVATQLVVSIRVQGDKRLSSLRRCCALTRYDAHKMSHDAFTVIKNCN
TSEWSPPLTMLFLCATKFSAS
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain4yr0 Chain A Residue 503 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4yr0 Roles of Residues Arg-61 and Gln-38 of Human DNA Polymerase eta in Bypass of Deoxyguanosine and 7,8-Dihydro-8-oxo-2'-deoxyguanosine.
Resolution1.78 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:4yr0, PDBe:4yr0, PDBj:4yr0
PDBsum4yr0
PubMed25947374
UniProtQ9Y253|POLH_HUMAN DNA polymerase eta (Gene Name=POLH)

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