Structure of PDB 4ijx Chain B Binding Site BS01

Receptor Information

>4ijx Chain B (length=143) Species: 9606 (Homo sapiens)

LRACGLIIFRRCLIPKNAIEFLLLQASDGIHHWTPPKGHVEPGEDDLETA
LRATQEEAGIEAGQLTIIEGFKRELNYVARNKPKTVIYWLAEVKDYDVEI
RLSHEHQAYRWLGLEEACQLAQFKEMKAALQEGHQFLCSIEAL

Ligand information

• Ligand ID: PO4
• InChI: InChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
• InChIKey: NBIIXXVUZAFLBC-UHFFFAOYSA-K
• SMILES:
  CACTVS 3.341: [O-][P]([O-])([O-])=O
  ACDLabs 10.04: [O-]P([O-])([O-])=O
  OpenEye OEToolkits 1.5.0: [O-]P(=O)([O-])[O-]
• Formula: O4 P
• Name: PHOSPHATE ION
• DrugBank: DB14523
• PDB chain: 4ijx Chain B Residue 201

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ijx Crystal structure of wild-type and mutant human Ap4A hydrolase.
• Resolution: 2.1 Å
• Binding residue (original residue number in PDB): Y114 W116
• Binding residue (residue number reindexed from 1): Y109 W111
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.6.1.17: bis(5'-nucleosyl)-tetraphosphatase (asymmetrical).

Gene Ontology

Molecular Function

• GO:0004081 bis(5'-nucleosyl)-tetraphosphatase (asymmetrical) activity
• GO:0005515 protein binding
• GO:0005525 GTP binding
• GO:0008796 bis(5'-nucleosyl)-tetraphosphatase activity
• GO:0008803 bis(5'-nucleosyl)-tetraphosphatase (symmetrical) activity
• GO:0016787 hydrolase activity

Biological Process

• GO:0006139 nucleobase-containing compound metabolic process
• GO:0006167 AMP biosynthetic process
• GO:0006754 ATP biosynthetic process
• GO:0006915 apoptotic process
• GO:0034599 cellular response to oxidative stress

Cellular Component

• GO:0005759 mitochondrial matrix

External links

• PDB: RCSB:4ijx, PDBe:4ijx, PDBj:4ijx
• PDBsum: 4ijx
• PubMed: 23384440
• UniProt: P50583|AP4A_HUMAN Bis(5'-nucleosyl)-tetraphosphatase [asymmetrical] (Gene Name=NUDT2)