Structure of PDB 5c5v Chain A Binding Site BS01

Receptor Information

>5c5v Chain A (length=342) Species: 185431 (Trypanosoma brucei brucei TREU927)

TQPMIKKIMSRLFSAFDVTHLGYLTPDKVEEVCRYLGRNMSDGDVKAMKA
EINAIDGHVTFEKFWAWWCSHPVHSRTKCFSMVSADFSMPYHQQQLVVHE
KGEMYTPSYRVLYFFRDLETGRERQVSPWHDIPLYVRDLVRTKPEATPMN
RYNFICEIPKWTRAKFEIATGESFNPIKQDIKNGVPRFYKHGDMMWNYGA
FPQTWESTEVLFEAGVTGDNDPVDAVEIGMTQFKVGQVSAVKVLGVLGMI
DEGKMDWKVVCISHNDPICRFMKDIHDVPKFLPGCLDAIREWFRVYKICQ
GGEASHFAFDGEFKDKEYAMKVIDESHNMWHNLLKVNKRGEL

Ligand information

• Ligand ID: 2PN
• InChI: InChI=1S/H5NO6P2/c2-8(3,4)1-9(5,6)7/h(H5,1,2,3,4,5,6,7)
• InChIKey: GNGSOPFGGKKDQP-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: O[P](O)(=O)N[P](O)(O)=O
  OpenEye OEToolkits 1.5.0: N(P(=O)(O)O)P(=O)(O)O
  ACDLabs 10.04: O=P(O)(O)NP(=O)(O)O
• Formula: H5 N O6 P2
• Name: IMIDODIPHOSPHORIC ACID
• ChEMBL: CHEMBL265450
• ZINC: ZINC000263621374
• PDB chain: 5c5v Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5c5v Structural and Functional Highlights of Vacuolar Soluble Protein 1 from Pathogen Trypanosoma brucei brucei
• Resolution: 2.35 Å
• Binding residue (original residue number in PDB): K237 E239 R259 Y270 D296 D328 Y368 K369
• Binding residue (residue number reindexed from 1): K165 E167 R187 Y198 D224 D256 Y296 K297
• 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

Biological Process

• GO:0006796 phosphate-containing compound metabolic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:5c5v, PDBe:5c5v, PDBj:5c5v
• PDBsum: 5c5v
• PubMed: 26494625
• UniProt: Q384W5