Structure of PDB 8e1i Chain A Binding Site BS04

Receptor Information
>8e1i Chain A (length=331) Species: 584653 (Schizosaccharomyces pombe/Puccinia graminis mixed DNA library) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
RNVVGICAMDAKARSAPCANILNRIIAEGEFEAIVFGDNMILDEAVENWP
ACDYLICFYSSGFPLKKAEKYVELRKPFCVNDVVFQELLWDRRLVLNILD
AIRVSTPQRLICSRDGGPKINKVLEEKLRRKFGIEITEVPTPEVKMLDED
TLSVDGKIIKKPYVEKPVYGEDHNIYIYFPKSVGGGGRKLFRKVANKSSD
YDPDLCAPRTEGSFIYEEFMNVDNAEDVKVYTVGPHYSHAETRKSPVVDG
IVRRNPHGKEIRFITNLSEEEKNMASKISIAFEQPVCGFDLLRVSGQSYV
IDVNGWSFVKDNNDYYDNAARILKQMFHVAE
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 chain8e1i Chain A Residue 504 [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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PDB8e1i Structures of Fission Yeast Inositol Pyrophosphate Kinase Asp1 in Ligand-Free, Substrate-Bound, and Product-Bound States.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D333 N335
Binding residue
(residue number reindexed from 1)		D302 N304
Annotation score1
Enzymatic activity
Enzyme Commision number 2.7.4.24: diphosphoinositol-pentakisphosphate 1-kinase.
Gene Ontology
Molecular Function
GO:0000829 diphosphoinositol pentakisphosphate kinase activity

View graph for
Molecular Function
External links
PDB RCSB:8e1i, PDBe:8e1i, PDBj:8e1i
PDBsum8e1i
PubMed36468882
UniProtO74429|VIP1_SCHPO Inositol hexakisphosphate and diphosphoinositol-pentakisphosphate kinase (Gene Name=asp1)

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