Structure of PDB 2xgp Chain A Binding Site BS04

Receptor Information
>2xgp 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 chain2xgp Chain A Residue 1514 [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)		N32 T259 T260 S261 P280
Binding residue
(residue number reindexed from 1)		N33 T260 T261 S262 P281
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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