Structure of PDB 1ua1 Chain A Binding Site BS03

Receptor Information
>1ua1 Chain A (length=580) Species: 1422 (Geobacillus stearothermophilus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
AAMAFTLADRVTEEMLADKAALVVEVVEENYHDAPIVGIAVVNEHGRFFL
RPETALADPQFVAWLGDETKKKSMFDSKRAAVALKWKGIELCGVSFDLLL
AAYLLDPAQGVDDVAAAAKMKQYEAVRPDEAVYGKGAKRAVPDEPVLAEH
LVRKAAAIWELERPFLDELRRNEQDRLLVELEQPLSSILAEMEFAGVKVD
TKRLEQMGKELAEQLGTVEQRIYELAGQEFNINSPKQLGVILFEKLQLPV
LKKTKTGYSTSADVLEKLAPYHEIVENILHYRQLGKLQSTYIEGLLKVVR
PDTKKVHTIFNQALTQTGRLSSTEPNLQNIPIRLEEGRKIRQAFVPSESD
WLIFAADYSQIELRVLAHIAEDDNLMEAFRRDLDIHTKTAMDIFQVSEDE
VTPNMRRQAKAVNFGIVYGISDYGLAQNLNISRKEAAEFIERYFESFPGV
KRYMENIVQEAKQKGYVTTLLHRRRYLPDITSRNFNVRSFAERMAMNTPI
QGSAADIIKKAMIDLNARLKEERLQAHLLLQVHDELILEAPKEEMERLCR
LVPEVMEQAVTLRVPLKVDYHYGSTWYDAK
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 chain1ua1 Chain C Residue 327 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1ua1 Observing translesion synthesis of an aromatic amine DNA adduct by a high-fidelity DNA polymerase
Resolution2.0 Å
Binding residue
(original residue number in PDB)		I716 G720 Q723
Binding residue
(residue number reindexed from 1)		I420 G424 Q427
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.7: DNA-directed DNA polymerase.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0003677 DNA binding
GO:0003887 DNA-directed DNA polymerase activity
GO:0008408 3'-5' exonuclease activity
Biological Process
GO:0006139 nucleobase-containing compound metabolic process
GO:0006260 DNA replication
GO:0006261 DNA-templated DNA replication

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:1ua1, PDBe:1ua1, PDBj:1ua1
PDBsum1ua1
PubMed15385534
UniProtP52026|DPO1_GEOSE DNA polymerase I (Gene Name=polA)

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