Structure of PDB 1ktg Chain B Binding Site BS01

Receptor Information

>1ktg Chain B (length=132) Species: 6239 (Caenorhabditis elegans)

KAAGLVIYRKLAGKIEFLLLQASYPPHHWTPPKGHVDPGEDEWQAAIRET
KEEANITKEQLTIHEDCHETLFYEAPKSVKYWLAKLNNPDDVQLSHEHQN
WKWCELEDAIKIADYAEMGSLLRKFSAFLAGF

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: 1ktg Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ktg The crystal structure of diadenosine tetraphosphate hydrolase from Caenorhabditis elegans in free and binary complex forms
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): G37 H38 E52 E103
• Binding residue (residue number reindexed from 1): G34 H35 E49 E97
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 3.6.1.-

Gene Ontology

Molecular Function

• GO:0004081 bis(5'-nucleosyl)-tetraphosphatase (asymmetrical) activity
• GO:0005524 ATP binding
• GO:0008796 bis(5'-nucleosyl)-tetraphosphatase activity
• GO:0016787 hydrolase activity
• GO:0043135 5-phosphoribosyl 1-pyrophosphate pyrophosphatase activity

Biological Process

• GO:0006167 AMP biosynthetic process
• GO:0006172 ADP biosynthetic process
• GO:0006754 ATP biosynthetic process
• GO:0006915 apoptotic process
• GO:0015967 diadenosine tetraphosphate catabolic process
• GO:0019693 ribose phosphate metabolic process

Cellular Component

• GO:0005575 cellular_component

External links

• PDB: RCSB:1ktg, PDBe:1ktg, PDBj:1ktg
• PDBsum: 1ktg
• PubMed: 11937063
• UniProt: Q9U2M7|AP4A_CAEEL Bis(5'-nucleosyl)-tetraphosphatase [asymmetrical] (Gene Name=ndx-4)