Structure of PDB 5cuy Chain B Binding Site BS01

Receptor Information

>5cuy Chain B (length=388) Species: 185431 (Trypanosoma brucei brucei TREU927)

ASAEVAGLPVSALHGTNISTGRGSEADVAEPIQEAVDRKVSELDLAAYDK
DDFTQPMIKKIMSRLFSAFDVTHLGYLTPDKVEEVCRYLGRNMSDGDVKA
MKAEINAIDGHVTFEKFWAWWCSHPVHSRTKCFSMVSADFSMPYHQQQLV
VHEKGEMYTPSYRVLYFFRDLETGRERQVSPWHDIPLYVRDLVRTKPEAT
PMNRYNFICEIPKWTRAKFEIATGESFNPIKQDIKNGVPRFYKHGDMMWN
YGAFPQTWESTEEAGVTGDNDPVDAVEIGMTQFKVGQVSAVKVLGVLGMI
DEGEMDWKVVCISHSDPICHFLRDIHDVPKFLPGCLDAIREWFRVYKICQ
GGEASHFAFDGEFKDKEYAMKVIDESHNMWHNLRKVNK

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: 5cuy Chain B Residue 902

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5cuy Crystal structure of Trypanosoma cruzi protein in complex with ligand
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): D296 D328
• Binding residue (residue number reindexed from 1): D274 D306
• Annotation score: 1

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:0005509 calcium ion binding
• GO:0008270 zinc ion binding
• GO:0016462 pyrophosphatase 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:0020022 acidocalcisome

External links

• PDB: RCSB:5cuy, PDBe:5cuy, PDBj:5cuy
• PDBsum: 5cuy
• UniProt: Q384W3