Structure of PDB 2xgp Chain B Binding Site BS04

Receptor Information
>2xgp Chain B (length=511) Species: 4932 (Saccharomyces cerevisiae) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GRMSKFTWKELIQLGSPSKAYESSLACIAHIDMNAFFAQVEQMRCGLSKE
DPVVCVQWNSIIAVSYAARKYGISRMDTIQEALKKCSNLIPIHTAVFKKG
EDFWQYHDGCGSWVQDPAKQISVEDHKVSLEPYRRESRKALKIFKSACDL
VERASIDEVFLDLGRICFNMLMFDNEYELTGDLKLKDALSNIREAFIGGN
YDINSHLPLIPEKIKSLKFEGDVFNPEGRDLITDWDDVILALGSQVCKGI
RDSIKDILGYTTSCGLSSTKNVCKLASNYKKPDAQTIVKNDCLLDFLDCG
KFEITSFWTLGGVLGKELIDVLDLPHENSIKHIRETWPDNAGQLKEFLDA
KVKQSDYDRSTSNIDPLKTADLAEKLFKLSRGRYGLPLSSRPVVKSMMSN
KNLRGKSCNSIVDCISWLEVFCAELTSRIQDLEQEYNKIVIPRTVSISLK
TKSYEVYRKSGPVAYKGINFQSHELLKVGIKFVTDLDIKGKNKSYYPLTK
LSMTITNFDII
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 chain2xgp Chain B Residue 1511 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2xgp 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)		D32 D157 E158
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:2xgp, PDBe:2xgp, PDBj:2xgp
PDBsum2xgp
PubMed21076032
UniProtQ04049|POLH_YEAST DNA polymerase eta (Gene Name=RAD30)

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