Structure of PDB 8jgp Chain A Binding Site BS01

Receptor Information
>8jgp 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 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 chain8jgp Chain A Residue 602 [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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PDB8jgp Structural Evolution of Bacterial Polyphosphate Degradation Enzyme for Phosphorus Cycling.
Resolution3.02 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:8jgp, PDBe:8jgp, PDBj:8jgp
PDBsum8jgp
PubMed38682481
UniProtQ9RYW9

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