Structure of PDB 2xgq Chain A Binding Site BS03

Receptor Information
>2xgq Chain A (length=510) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RMSKFTWKELIQLGSPSKAYESSLACIAHIDMNAFFAQVEQMRCGLSKED
PVVCVQWNSIIAVSYAARKYGISRMDTIQEALKKCSNLIPIHTAVFKKGE
DFWQYHDGCGSWVQDPAKQISVEDHKVSLEPYRRESRKALKIFKSACDLV
ERASIDEVFLDLGRICFNMLMFDNEYELTGDLKLKDALSNIREAFIGGNY
DINSHLPLIPEKIKSLKFEGDVFNPEGRDLITDWDDVILALGSQVCKGIR
DSIKDILGYTTSCGLSSTKNVCKLASNYKKPDAQTIVKNDCLLDFLDCGK
FEITSFWTLGGVLGKELIDVLDLPHENSIKHIRETWPDNAGQLKEFLDAK
VKQSDYDRSTSNIDPLKTADLAEKLFKLSRGRYGLPLSSRPVVKSMMSNK
NLRGKSCNSIVDCISWLEVFCAELTSRIQDLEQEYNKIVIPRTVSISLKT
KSYEVYRKSGPVAYKGINFQSHELLKVGIKFVTDLDIKGKNKSYYPLTKL
SMTITNFDII
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 chain2xgq Chain A Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2xgq Mechanism of Replication Blocking and Bypass of Y-Family Polymerase Eta by Bulky Acetylaminofluorene DNA Adducts.
Resolution2.7 Å
Binding residue
(original residue number in PDB)		D30 D155 E156
Binding residue
(residue number reindexed from 1)		D31 D156 E157
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:2xgq, PDBe:2xgq, PDBj:2xgq
PDBsum2xgq
PubMed21076032
UniProtQ04049|POLH_YEAST DNA polymerase eta (Gene Name=RAD30)

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