Structure of PDB 9f99 Chain A Binding Site BS03

Receptor Information
>9f99 Chain A (length=185) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
PLELRPGEYRVLLCVDIGETRGGGHRPELLRELQRLHVTHTVRKLHVGDF
VWVAQETNPRDPANPGELVLDHIVERKRLDDLCSSIIDGRFREQKFRLKR
CGLERRVYLVEELSLPESTLLQAVTNTQVIDGFFVKRTADIKESAAYLAL
LTRGLQRLYQGHTLRSRPWGPNPLCSLLTFSDFNA
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain9f99 Chain A Residue 603 [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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PDB9f99 Fragment-Based Discovery of Novel MUS81 Inhibitors.
Resolution2.803 Å
Binding residue
(original residue number in PDB)		D307 E333 R334
Binding residue
(residue number reindexed from 1)		D49 E75 R76
Annotation score4
External links
PDB RCSB:9f99, PDBe:9f99, PDBj:9f99
PDBsum9f99
PubMed39015284
UniProtQ96NY9|MUS81_HUMAN Crossover junction endonuclease MUS81 (Gene Name=MUS81)

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