Structure of PDB 8jgt Chain A Binding Site BS01

Receptor Information
>8jgt Chain A (length=487) Species: 243230 (Deinococcus radiodurans R1 = ATCC 13939 = DSM 20539) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SHMRVAVADVGTNSSHLLIAEALPGDAGGFRVIDTLKDRTRLGECLDTRG
ELTPEGEERLASALTRFRELAASAGAGDVRVYATSALREAPNGAEVAERV
RQRTGLYPAVISGVRAGELTYLGVREAVELGPDNVLLDLGGGSLEFVRGA
EERAADVLSLPLGAIRMTRAFPEGDGKNAGRDVADAVARQVRELLRPHAG
RFAARPGTQFFLSSGTAEAAADAIAQRRGGRPAEAAGGVNGERFTLTELA
DLLAHVARLRPAQRARVPGLERRGDTILAALSVLHAALDALGAREVTVSE
GALREGMLIEELAQVQTFSLALSTRQRSVLATAGRFGVNLSHAGQVAELS
RELFDRLLAAGETFPPPARSLLTAAAVLHEAGRGFGPQDIELIAQIARYH
RKSKPSHPDYVALAPADRALVARLAGILRVADGLDRAHTGLARVDDLRRQ
GQGWQLRVSGVTPLDLAGVGEKGDLWAREFGPLSVQN
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 chain8jgt Chain A Residue 605 [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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PDB8jgt Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H340 H377 E378 D453
Binding residue
(residue number reindexed from 1)		H342 H379 E380 D432
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0016462 pyrophosphatase activity
GO:0046872 metal ion binding

View graph for
Molecular Function
External links
PDB RCSB:8jgt, PDBe:8jgt, PDBj:8jgt
PDBsum8jgt
PubMed38682481
UniProtQ9RYW9

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