Structure of PDB 4gz0 Chain E Binding Site BS03

Receptor Information
>4gz0 Chain E (length=250) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SSTISFITWNIDGLDGCNLPERARGVCSCLALYSPDVVFLQEVIPPYCAY
LKKRAASYTIITGNEEGYFTAILLKKGRVKFKSQEIIPFPNTKMMRNLLC
VNVSLGGNEFCLMTSHLESTREHSAERIRQLKTVLGKMQEAPDSTTVIFA
GDTNLRDQEVIKCGGLPDNVFDAWEFLGKPKHCQYTWDTKANNNLRIPAA
YKHRFDRIFFRAEEGHLIPQSLDLVGLEKLDCGRFPSDHWGLLCTLNVVL
Ligand information
Ligand ID6AH
InChIInChI=1S/C6H15NO/c7-5-3-1-2-4-6-8/h8H,1-7H2
InChIKeySUTWPJHCRAITLU-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(CCCO)CCN
ACDLabs 12.01OCCCCCCN
CACTVS 3.370NCCCCCCO
FormulaC6 H15 N O
Name6-aminohexan-1-ol
ChEMBL
DrugBank
ZINCZINC000001592422
PDB chain4gz0 Chain F Residue 101 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4gz0 Mechanism of repair of 5'-topoisomerase II-DNA adducts by mammalian tyrosyl-DNA phosphodiesterase 2.
Resolution2.113 Å
Binding residue
(original residue number in PDB)		E162 S239
Binding residue
(residue number reindexed from 1)		E42 S119
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.4.-
Gene Ontology
Molecular Function
GO:0003824 catalytic activity

View graph for
Molecular Function
External links
PDB RCSB:4gz0, PDBe:4gz0, PDBj:4gz0
PDBsum4gz0
PubMed23104055
UniProtQ9JJX7|TYDP2_MOUSE Tyrosyl-DNA phosphodiesterase 2 (Gene Name=Tdp2)

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