Structure of PDB 3khr Chain B Binding Site BS07

Receptor Information
>3khr Chain B (length=341) Species: 273057 (Saccharolobus solfataricus P2) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GIVLFVDFDYFYAQVEEVLNPSLKGKPVVVCVFSGRFEDSGAVATANYEA
RKFGVKAGIPIVEAKKILPNAVYLPMRKEVYQQVSSRIMNLLREYSEKIE
IASIDEAYLDISDKVRDYREAYNLGLEIKNKILEKEKITVTVGISKNKVF
AKIAADMAKPNGIKVIDDEEVKRLIRELDIADVPGIGNITAEKLKKLGIN
KLVDTLSIEFDKLKGMIGEAKAKYLISLARDEYNEPIRTRVRKSIGRIVT
MKRNSRNLEEIKPYLFRAIEESYYKLDKRIPKAIHVVAVTEDLDIVSRGR
TFPHGISKETAYSESVKLLQKILEEDERKIRRIGVRFSKFI
Ligand information
Ligand IDAF
InChIInChI=1S/C13H11N/c14-11-5-6-13-10(8-11)7-9-3-1-2-4-12(9)13/h1-6,8H,7,14H2
InChIKeyCFRFHWQYWJMEJN-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04c1cccc3c1c2c(cc(N)cc2)C3
CACTVS 3.341Nc1ccc2c(Cc3ccccc23)c1
OpenEye OEToolkits 1.5.0c1ccc-2c(c1)Cc3c2ccc(c3)N
FormulaC13 H11 N
Name2-AMINOFLUORENE
ChEMBLCHEMBL84472
DrugBank
ZINCZINC000001516303
PDB chain3khr Chain J Residue 1926 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3khr Mechanism of error-free and semitargeted mutagenic bypass of an aromatic amine lesion by Y-family polymerase Dpo4.
Resolution2.01 Å
Binding residue
(original residue number in PDB)		I1248 V1287 R1336
Binding residue
(residue number reindexed from 1)		I248 V287 R336
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003677 DNA binding
GO:0003684 damaged DNA binding
GO:0003887 DNA-directed DNA polymerase activity
GO:0046872 metal ion binding
Biological Process
GO:0006260 DNA replication
GO:0006261 DNA-templated DNA replication
GO:0006281 DNA repair
GO:0006974 DNA damage response
GO:0042276 error-prone translesion synthesis
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:3khr, PDBe:3khr, PDBj:3khr
PDBsum3khr
PubMed20154704
UniProtQ97W02|DPO4_SACS2 DNA polymerase IV (Gene Name=dbh)

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