Structure of PDB 4b33 Chain A Binding Site BS01

Receptor Information
>4b33 Chain A (length=220) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ATIGRISTGSKSLDKLLGGGIETQAITEVFGEFGSGKTQLAHTLAVMVQL
PPEEGGLNGSVMWIDTENTFRPERIREIAQNRGLDPDEVLKHIAYARAFN
SNHQMLLVQQAEDMIKELLNTDRPVKLLIVDSLTSHFRSEYIGRGALAER
QQKLAKHLADLHRLANLYDIAVFVTNQVSATLRVYLRKGKGGKRIARLID
APHLPEGEAVFSITEKGIED
Ligand information
Ligand ID1NP
InChIInChI=1S/C10H8O/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7,11H
InChIKeyKJCVRFUGPWSIIH-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0c1ccc2c(c1)cccc2O
ACDLabs 10.04Oc2cccc1ccccc12
CACTVS 3.341Oc1cccc2ccccc12
FormulaC10 H8 O
Name1-NAPHTHOL;
naphthalen-1-ol
ChEMBLCHEMBL122617
DrugBank
ZINCZINC000004292977
PDB chain4b33 Chain A Residue 1351 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4b33 Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Resolution1.499 Å
Binding residue
(original residue number in PDB)		M169 I171 A201 A203 L214 Q217 A218
Binding residue
(residue number reindexed from 1)		M62 I64 A94 A96 L107 Q110 A111
Annotation score1
Binding affinityMOAD: Kd=0.43mM
PDBbind-CN: -logKd/Ki=3.37,Kd=0.43mM
BindingDB: Kd=430000nM
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0003684 damaged DNA binding
GO:0005524 ATP binding
GO:0008094 ATP-dependent activity, acting on DNA
GO:0016887 ATP hydrolysis activity
GO:0140664 ATP-dependent DNA damage sensor activity
Biological Process
GO:0006259 DNA metabolic process
GO:0006281 DNA repair
GO:0006310 DNA recombination

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Molecular Function
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Biological Process
External links
PDB RCSB:4b33, PDBe:4b33, PDBj:4b33
PDBsum4b33
PubMed23344974
UniProtO74036|RADA_PYRFU DNA repair and recombination protein RadA (Gene Name=radA)

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