Structure of PDB 6k21 Chain A Binding Site BS01

Receptor Information
>6k21 Chain A (length=173) Species: 470 (Acinetobacter baumannii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYNNIPAGKDAPNDIYVIIEIPANAAPIKYEIDKDSDALFVDRFMGTAMF
YPANYGYVPNTLSEDGDPLDVLVVTPYPVAAGSVIRCRPVGKLNMEDDGG
IDAKLIAVPHEKLSPLYKDVKEYTDLPQLLINQVEHFFSHYKDLEPGKWV
KISGWEGADVAKAEVIKAIEAAK
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 chain6k21 Chain A Residue 401 [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]
PDB6k21 Crystal Structures of Pyrophosphatase from Acinetobacter baumannii: Snapshots of Pyrophosphate Binding and Identification of a Phosphorylated Enzyme Intermediate.
Resolution2.0 Å
Binding residue
(original residue number in PDB)		D65 D70
Binding residue
(residue number reindexed from 1)		D65 D70
Annotation score1
Enzymatic activity
Enzyme Commision number 3.6.1.1: inorganic diphosphatase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004427 inorganic diphosphate phosphatase activity
GO:0016787 hydrolase activity
GO:0046872 metal ion binding
Biological Process
GO:0006796 phosphate-containing compound metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:6k21, PDBe:6k21, PDBj:6k21
PDBsum6k21
PubMed31500178
UniProtA0A0A7XPH7

[Back to BioLiP]