Structure of PDB 2py7 Chain X Binding Site BS01

Receptor Information
>2py7 Chain X (length=535) Species: 83333 (Escherichia coli K-12) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GLTPQELEAYGISDVHDIVYNPSYDLLYQEELDPSLTGYERGVLTNLGAV
AVDTGIFTGRSPKDKYIVRDDTTRDTFWWADKGKGKNDNKPLSPETWQHL
KGLVTRQLSGKRLFVVDAFCGANPDTRLSVRFITEVAWQAHFVKNMFIRP
SDEELAGFKPDFIVMNGAKCTNPQWKEQGLNSENFVAFNLTERMQLIGGT
WYGGEMKSGMFSMMNYLLPLKGIASMHCSANVGEKGDVAVFFGLSGTGKT
TLSTDPKRRLIGDDEHGWDDDGVFNFEGGCYAKTIKLSKEAEPEIYNAIR
RDALLENVTVREDGTIDFDDGSKTENTRVSYPIYHIDNIVKPVSKAGHAT
KVIFLTADAFGVLPPVSRLTADQTQYHFLSGFTAKLAGTERGITEPTPTF
SACFGAAFLSLHPTQYAEVLVKRMQAAGAQAYLVNTGWNGTGKRISIKDT
RAIIDAILNGSLDNAETFTLPMFNLAIPTELPGVDTKILDPRNTYASPEQ
WQEKAETLAKLFIDNFDKYTDTPAGAALVAAGPKL
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 chain2py7 Chain X Residue 999 [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]
PDB2py7 Crystal structure of E. coli phosphoenolpyruvate carboxykinase mutant Lys213Ser
Resolution2.2 Å
Binding residue
(original residue number in PDB)		H232 K254 D269
Binding residue
(residue number reindexed from 1)		H227 K249 D264
Annotation score1
Enzymatic activity
Enzyme Commision number 4.1.1.49: phosphoenolpyruvate carboxykinase (ATP).
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004611 phosphoenolpyruvate carboxykinase activity
GO:0004612 phosphoenolpyruvate carboxykinase (ATP) activity
GO:0005509 calcium ion binding
GO:0005524 ATP binding
GO:0016831 carboxy-lyase activity
GO:0017076 purine nucleotide binding
GO:0046872 metal ion binding
Biological Process
GO:0006094 gluconeogenesis
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:2py7, PDBe:2py7, PDBj:2py7
PDBsum2py7
PubMed
UniProtP22259|PCKA_ECOLI Phosphoenolpyruvate carboxykinase (ATP) (Gene Name=pckA)

[Back to BioLiP]