Structure of PDB 8jgq Chain A Binding Site BS02

Receptor Information
>8jgq Chain A (length=492) 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
RQRTGLYPAVISGVREGELTYLGVREAVELGPDNVLLDLGGGSLEFVRGA
EERAADVLSLPLGAIRMTRAFPEGDGKNAGRDVADAVARQVRELLRPHAG
RFAARPGTQFFLSSGTAEAAADAIAQRRGGRPAEAAGGVNGERFTLTELA
DLLAHVARLRPAQRARVPGLERRGDTILAALSVLHAALDALGAREVTVSE
GALREGMLIEELAQVQTFSLALSTRQRSVLATAGRFGVNLSHAGQVAELS
RELFDRLLAAGETFPPPARSLLTAAAVLHEAGQIVRGFGPQDIELIAQIA
RYHRKSLPKPSHPDYVALAPADRALVARLAGILRVADGLDRAHTGLARVD
DLRRQGQGWQLRVSGVTPLDLAGVGEKGDLWAREFGPLSVQN
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 chain8jgq Chain A Residue 608 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
[Spin on] [Spin off] [Reset]
[High quality] [Low quality]
[White background] [Black background]
PDB8jgq Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Resolution2.5 Å
Binding residue
(original residue number in PDB)		H340 H377 E378 D453
Binding residue
(residue number reindexed from 1)		H342 H379 E380 D437
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:8jgq, PDBe:8jgq, PDBj:8jgq
PDBsum8jgq
PubMed38682481
UniProtQ9RYW9

[Back to BioLiP]