Structure of PDB 8sp5 Chain A Binding Site BS01

Receptor Information
>8sp5 Chain A (length=235) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
STSHITILTLNINGLNSAIKRHRLASWIKSQDPSVCCIQETHLTCRDTHR
LKIKGWRKIYQANGKQKKAGVAILVSDKTDFKPTKIKRDKEGHYIMVKGS
IQQEELTILNIYAPNTGAPRFIKQVLSDLQRDLDSHTLIMGDFNTPLSTL
DRSTRQKVNKDTQELNSALHQADLIDIYRTLHPKSTEYTFFSAPHHTYSK
IDHIVGSKALLSKCKRTEIITNYLSDHSAIKLELR
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain8sp5 Chain A Residue 301 [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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PDB8sp5 Identification and characterization of small molecule inhibitors of the LINE-1 retrotransposon endonuclease.
Resolution2.23 Å
Binding residue
(original residue number in PDB)		N16 E43
Binding residue
(residue number reindexed from 1)		N13 E40
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.7.49: RNA-directed DNA polymerase.
External links
PDB RCSB:8sp5, PDBe:8sp5, PDBj:8sp5
PDBsum8sp5
PubMed38719805
UniProtO00370|LORF2_HUMAN LINE-1 retrotransposable element ORF2 protein

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