Structure of PDB 8ujm Chain B Binding Site BS01

Receptor Information
>8ujm Chain B (length=237) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DILPLSPVSRNRLAQVKRKILVLDLDETLIHSHHDGPGTPPDFILKVVID
KHPVRFFVHKRPHVDFFLEVVSQWYELVVFTASMEIYGSAVADKLDNSRS
ILKRRYYRQHCTLELGSYIKDLSVVHSDLSSIVILDNSPGAYRSHPDNAI
PIKSWFSDPSDTALLNLLPMLDALRFTADVRSVLSRNSAKGSESNSLEQA
EDLKAFERRLTEYIHCLQAPSIIAARCRTVLAEYNMS
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 chain8ujm Chain B Residue 401 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8ujm Structure and mechanism of the human CTDNEP1-NEP1R1 protein phosphatase complex necessary to maintain ER membrane morphology
Resolution2.161 Å
Binding residue
(original residue number in PDB)		D29 D31 N149
Binding residue
(residue number reindexed from 1)		D24 D26 N137
Annotation score1
Enzymatic activity
Enzyme Commision number ?
3.1.3.16: protein-serine/threonine phosphatase.
Gene Ontology
Molecular Function
GO:0016791 phosphatase activity
Cellular Component
GO:0071595 Nem1-Spo7 phosphatase complex

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Molecular Function
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Cellular Component
External links
PDB RCSB:8ujm, PDBe:8ujm, PDBj:8ujm
PDBsum8ujm
PubMed38776370
UniProtO95476;
Q8N9A8

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