Structure of PDB 2q40 Chain A Binding Site BS01

Receptor Information

>2q40 Chain A (length=343) Species: 3702 (Arabidopsis thaliana)

EMVPFPQLPMPIENNYRACTIPYRFPSDDPKKATPNEISWINVFANSIPS
FKKRAESDITVPDAPARAEKFAERYAGILEDLKKDPESHGGPPDGILLCR
LREQVLRELGFRDIFKKVKDEENAKAISLFPQVVSLSDAIEDDGKRLENL
VRGIFAGNIFMSFLASCQNLVPRPWVIDDLENFQAKWINKSWKKAVIFVD
NSGADIILGILPFARELLRRGAQVVLAANELPSINDITCTELTEILSQLK
NGQLLGVDTSKLLIANSGNDLPVIDLSRVSQELAYLSSDADLVIVEGMGR
GIETNLYAQFKCDSLKIGMVKHLEVAEFLGGRLYDCVFKFNEV

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 2q40 Chain A Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2q40 Ensemble refinement of protein crystal structures: validation and application.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): D220 N221 D256
• Binding residue (residue number reindexed from 1): D200 N201 D236
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.1.3.-

Gene Ontology

Molecular Function

• GO:0004594 pantothenate kinase activity
• GO:0005524 ATP binding
• GO:0016787 hydrolase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0015937 coenzyme A biosynthetic process

Cellular Component

• GO:0005739 mitochondrion
• GO:0005829 cytosol

External links

• PDB: RCSB:2q40, PDBe:2q40, PDBj:2q40
• PDBsum: 2q40
• PubMed: 17850744
• UniProt: Q949P3|D89S2_ARATH Damage-control phosphatase At2g17340 (Gene Name=At2g17340)