Structure of PDB 7u8y Chain B Binding Site BS01

Receptor Information
>7u8y Chain B (length=222) Species: 10090 (Mus musculus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LPHGHMQTLIFLDLEATGLPSSRPEVTELCLLAVHRRALENTSISQGHPP
PVPRPPRVVDKLSLCIAPGKACSPGASEITGLSKAELEVQGRQRFDDNLA
ILLRAFLQRQPQPCCLVAHNGDRYDFPLLQTELARLSTPSPLDGTFCVDS
IAALKALEQASRKSYSLGSIYTRLYWQAPTDSHTAEGDVLTLLSICQWKP
QALLQWVDEHARPFSTVKPMYG
Ligand information
Ligand IDAZN
InChIInChI=1S/C14H8O7S/c15-11-6-3-1-2-4-7(6)12(16)10-8(11)5-9(22(19,20)21)13(17)14(10)18/h1-5,17-18H,(H,19,20,21)
InChIKeyJKYKXTRKURYNGW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341Oc1c(O)c(cc2C(=O)c3ccccc3C(=O)c12)[S](O)(=O)=O
OpenEye OEToolkits 1.5.0c1ccc2c(c1)C(=O)c3cc(c(c(c3C2=O)O)O)S(=O)(=O)O
ACDLabs 10.04O=S(=O)(O)c3cc2C(=O)c1ccccc1C(=O)c2c(O)c3O
FormulaC14 H8 O7 S
NameALIZARIN RED
ChEMBLCHEMBL1206015
DrugBank
ZINCZINC000003875857
PDB chain7u8y Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7u8y TREX1 Structural Studies Capture Small Molecule Inhibition and Implicate Novel DNA Dynamics
Resolution2.22 Å
Binding residue
(original residue number in PDB)		D18 E20 G80 I84 H195 D200
Binding residue
(residue number reindexed from 1)		D13 E15 G75 I79 H183 D188
Annotation score1
Enzymatic activity
Enzyme Commision number 3.1.11.2: exodeoxyribonuclease III.
Gene Ontology
Molecular Function
GO:0003676 nucleic acid binding
GO:0008408 3'-5' exonuclease activity

View graph for
Molecular Function
External links
PDB RCSB:7u8y, PDBe:7u8y, PDBj:7u8y
PDBsum7u8y
PubMed
UniProtQ91XB0|TREX1_MOUSE Three-prime repair exonuclease 1 (Gene Name=Trex1)

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