Structure of PDB 3lqc Chain A Binding Site BS01

Receptor Information
>3lqc Chain A (length=151) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PEIRLRHVVSCSSQDSTHCAENLLKADTYRKWRAAKAGEKTISVVLQLEK
EEQIHSVDIGNDGSAFVEVLVGSSAGGAGEQDYEVLLVTSSFMSPSESRS
GSNPNRVRMFGPDKLVRAAAEKRWDRVKIVCSQPYSKDSPFGLSFVRFHS
P
Ligand information
Ligand IDCO3
InChIInChI=1S/CH2O3/c2-1(3)4/h(H2,2,3,4)/p-2
InChIKeyBVKZGUZCCUSVTD-UHFFFAOYSA-L
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(=O)([O-])[O-]
ACDLabs 10.04
CACTVS 3.341		[O-]C([O-])=O
FormulaC O3
NameCARBONATE ION
ChEMBL
DrugBankDB14531
ZINC
PDB chain3lqc Chain A Residue 190 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3lqc Oxidation state of the XRCC1 N-terminal domain regulates DNA polymerase beta binding affinity.
Resolution2.349 Å
Binding residue
(original residue number in PDB)		P2 E3 R7 S44 K129
Binding residue
(residue number reindexed from 1)		P1 E2 R6 S43 K128
Annotation score3
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003684 damaged DNA binding
Biological Process
GO:0000012 single strand break repair
Cellular Component
GO:0005634 nucleus

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3lqc, PDBe:3lqc, PDBj:3lqc
PDBsum3lqc
PubMed20351257
UniProtP18887|XRCC1_HUMAN DNA repair protein XRCC1 (Gene Name=XRCC1)

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