Structure of PDB 4b32 Chain A Binding Site BS01

Receptor Information
>4b32 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 ID03V
InChIInChI=1S/C10H8O/c11-10-6-5-8-3-1-2-4-9(8)7-10/h1-7,11H
InChIKeyJWAZRIHNYRIHIV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.2c1ccc2cc(ccc2c1)O
CACTVS 3.370Oc1ccc2ccccc2c1
ACDLabs 12.01Oc2ccc1c(cccc1)c2
FormulaC10 H8 O
Namenaphthalen-2-ol;
2-Naphtol
ChEMBLCHEMBL14126
DrugBank
ZINCZINC000000967928
PDB chain4b32 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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PDB4b32 Using a Fragment-Based Approach to Target Protein-Protein Interactions.
Resolution1.5 Å
Binding residue
(original residue number in PDB)		M169 I171 A201 A203 Q217
Binding residue
(residue number reindexed from 1)		M62 I64 A94 A96 Q110
Annotation score1
Binding affinityMOAD: Kd=0.46mM
PDBbind-CN: -logKd/Ki=3.34,Kd=0.46mM
BindingDB: Kd=460000nM
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:4b32, PDBe:4b32, PDBj:4b32
PDBsum4b32
PubMed23344974
UniProtO74036|RADA_PYRFU DNA repair and recombination protein RadA (Gene Name=radA)

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