Structure of PDB 2x4d Chain A Binding Site BS01

Receptor Information

>2x4d Chain A (length=270) Species: 9606 (Homo sapiens)

SMAPWGKRLAGVRGVLLDISGVLYDSGAGGGTAIAGSVEAVARLKRSRLK
VRFCTNESAASRAELVGQLQRLGFDISEQEVTAPAPAACQILKERGLRPY
LLIHDGVRSEFDQIDTSNPNCVVIADAGESFSYQNMNNAFQVLMELEKPV
LISLGKGRYYAATSGLMLDVGPYMKALEYACGIKAEVVGKPSPEFFKSAL
QAIGVEAHQAVMIGDDIVGDVGGAQRCGMRALQVRTGKFRPSDEHHPEVK
ADGYVDNLAEAVDLLLQHAD

Ligand information

• Ligand ID: POP
• InChI: InChI=1S/H4O7P2/c1-8(2,3)7-9(4,5)6/h(H2,1,2,3)(H2,4,5,6)/p-2
• InChIKey: XPPKVPWEQAFLFU-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: O[P@@](=O)([O-])O[P@@](=O)(O)[O-]
  CACTVS 3.341: O[P]([O-])(=O)O[P](O)([O-])=O
  ACDLabs 10.04: [O-]P(=O)(O)OP([O-])(=O)O
  OpenEye OEToolkits 1.5.0: OP(=O)([O-])OP(=O)(O)[O-]
• Formula: H2 O7 P2
• Name: PYROPHOSPHATE 2-
• PDB chain: 2x4d Chain A Residue 500

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2x4d Crystal Structure of Human Phospholysine Phosphohistidine Inorganic Pyrophosphate Phosphatase Lhpp
• Resolution: 1.92 Å
• Binding residue (original residue number in PDB): D17 I18 S19 T54 N55 E56 K189
• Binding residue (residue number reindexed from 1): D18 I19 S20 T55 N56 E57 K190
• Annotation score: 5

Enzymatic activity

• Enzyme Commision number: 3.1.3.-
  3.6.1.1: inorganic diphosphatase.

Gene Ontology

Molecular Function

• GO:0004427 inorganic diphosphate phosphatase activity
• GO:0005515 protein binding
• GO:0016787 hydrolase activity
• GO:0016791 phosphatase activity
• GO:0042803 protein homodimerization activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006796 phosphate-containing compound metabolic process
• GO:0016311 dephosphorylation

Cellular Component

• GO:0005634 nucleus
• GO:0005737 cytoplasm
• GO:0005829 cytosol
• GO:0016607 nuclear speck

External links

• PDB: RCSB:2x4d, PDBe:2x4d, PDBj:2x4d
• PDBsum: 2x4d
• UniProt: Q9H008|LHPP_HUMAN Phospholysine phosphohistidine inorganic pyrophosphate phosphatase (Gene Name=LHPP)