Structure of PDB 2x98 Chain A Binding Site BS01

Receptor Information

>2x98 Chain A (length=430) Species: 478009 (Halobacterium salinarum R1)

ASPAANAIAYIVDGMGQTQISAARYLNAYKTAPERFPLNVSPAETPTGFD
AFSSRGSMTTFPDDPYETTTDSAAAATAFASGVKTYNGAIGGVQTSGGGF
QRVDTVLERASAQGYATGLITTTEATHATPAAFAAHVEDRGNQTEIARQY
IEETQPDVILGGQRRDFEADASNGGTLVDAARDNGYTIAETAAELDAVDD
PPVLGLFSQESHLDYYLDRKNDPENTQPNLDAMVDAGVDLLSSAGDPDKG
FFLLVESGRVDHAGHANYPAQVAEQYEATQVAGQLVEYAETTAEPTFLVS
TGDHECGGLTLGRDSPYEVEYDVLAAQKATTSRLRDLLAGVRSADELESI
VAAHTGITALTDREVAKLRDAPGSISTILAERAGIAFTTDGHTGTDVPVF
AHGPNAARFDAARDNTAVADALAAALGVSL

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: 2x98 Chain A Residue 1474

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): D114 S115 R183 D304 H347 H435
• Binding residue (residue number reindexed from 1): D71 S72 R140 D261 H304 H392
• 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 E256 D261 H262 H265 D303 H304 H392
• 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