Structure of PDB 2x98 Chain B Binding Site BS04

Receptor Information

>2x98 Chain B (length=428) Species: 478009 (Halobacterium salinarum R1)

ASPAANAIAYIVDGMGQTQISAARYLNAYKTAPERFPLNVSPAETPTGFD
AFSSRGSMTTFPDDPYETTTDSAAAATAFASGVKTYNGAIGGVQTSGGGF
QRVDTVLERASAQGYATGLITTTEATHATPAAFAAHVEDRGNQTEIARQY
IEETQPDVILGGQRRDFEADASNGGTLVDAARDNGYTIAETAAELDAVDD
PPVLGLFSQESHLDYYLDRKNDPENTQPNLDAMVDAGVDLLSGDPDKGFF
LLVESGRVDHAGHANYPAQVAEQYEATQVAGQLVEYAETTAEPTFLVSTG
DHECGGLTLGRDSPYEVEYDVLAAQKATTSRLRDLLAGVRSADELESIVA
AHTGITALTDREVAKLRDAPGSISTILAERAGIAFTTDGHTGTDVPVFAH
GPNAARFDAARDNTAVADALAAALGVSL

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: 2x98 Chain B Residue 1477

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2x98 Structural and Biochemical Characterization of a Halophilic Archaeal Alkaline Phosphatase.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): D56 T172 E299
• Binding residue (residue number reindexed from 1): D13 T129 E254
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D56 S115 H170 T172 R183 E299 D304 H305 H308 D346 H347 H435
• Catalytic site (residue number reindexed from 1): D13 S72 H127 T129 R140 E254 D259 H260 H263 D301 H302 H390
• Enzyme Commision number: 3.1.3.1: alkaline phosphatase.

Gene Ontology

Molecular Function

• GO:0004035 alkaline phosphatase activity
• GO:0016787 hydrolase activity
• GO:0016791 phosphatase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0016311 dephosphorylation

External links

• PDB: RCSB:2x98, PDBe:2x98, PDBj:2x98
• PDBsum: 2x98
• PubMed: 20438737
• UniProt: B0R9W3