Structure of PDB 1je1 Chain A Binding Site BS01

Receptor Information

>1je1 Chain A (length=232) Species: 2287 (Saccharolobus solfataricus)

PVHILAKKGEVAERVLVVGDPGRARLLSTLLQNPKLTNENRGFLVYTGKY
NGETVSIATHGIGGPSIAIVLEELAMLGANVFIRYGTTGALVPYINLGEY
IIVTGASYNQGGLFYQYLRDNACVASTPDFELTNKLVTSFSKRNLKYYVG
NVFSSDAFYAEDEEFVKKWSSRGNIAVEMECATLFTLSKVKGWKSATVLV
VSDNLAKIWITKEELEKSVMDGAKAVLDTLTS

Ligand information

• Ligand ID: SO4
• InChI: InChI=1S/H2O4S/c1-5(2,3)4/h(H2,1,2,3,4)/p-2
• InChIKey: QAOWNCQODCNURD-UHFFFAOYSA-L
• SMILES:
  OpenEye OEToolkits 1.5.0: [O-]S(=O)(=O)[O-]
  CACTVS 3.341: [O-][S]([O-])(=O)=O
  ACDLabs 10.04: [O-]S([O-])(=O)=O
• Formula: O4 S
• Name: SULFATE ION
• DrugBank: DB14546
• PDB chain: 1je1 Chain A Residue 1250

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1je1 Three-dimensional structure of a hyperthermophilic 5'-deoxy-5'-methylthioadenosine phosphorylase from Sulfolobus solfataricus.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): G21 R25 R86 G88 T89
• Binding residue (residue number reindexed from 1): G19 R23 R84 G86 T87
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H5 G21 R25 R43 E75 R86 T89 S204 D205 L207 L219
• Catalytic site (residue number reindexed from 1): H3 G19 R23 R41 E73 R84 T87 S202 D203 L205 L215
• Enzyme Commision number: 2.4.2.1: purine-nucleoside phosphorylase.
  2.4.2.28: S-methyl-5'-thioadenosine phosphorylase.

Gene Ontology

Molecular Function

• GO:0003824 catalytic activity
• GO:0016757 glycosyltransferase activity
• GO:0016763 pentosyltransferase activity
• GO:0017061 S-methyl-5-thioadenosine phosphorylase activity

Biological Process

• GO:0009116 nucleoside metabolic process
• GO:0009164 nucleoside catabolic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:1je1, PDBe:1je1, PDBj:1je1
• PDBsum: 1je1
• PubMed: 11489901
• UniProt: P50389|PNPH_SACS2 Purine nucleoside phosphorylase (Gene Name=SSO2706)