Structure of PDB 1u1i Chain A Binding Site BS01

Receptor Information

>1u1i Chain A (length=392) Species: 224325 (Archaeoglobus fulgidus DSM 4304)

MKVWLVGAYGIVSTTAMVGARAIERGIAPKIGLVSELPHFEGIEKYAPFS
FEFGGHEIRLLSNAYEAAKEHWELNRHFDREILEAVKSDLEGIVARKGTA
LNCGSGIKELGDIKTLEGEGLSLAEMVSRIEEDIKSFADDETVVINVAST
EPLPNYSEEYHGSLEGFERMIDEDRKEYASASMLYAYAALKLGLPYANFT
PSPGSAIPALKELAEKKGVPHAGNDGKTGETLVKTTLAPMFAYRNMEVVG
WMSYNILGDYDGKVLSARDNKESKVLSKDKVLEKMLGYSPYSITEIQYFP
SLVDNKTAFDFVHFKGFLGKLMKFYFIWDAIDAIVAAPLILDIARFLLFA
KKKGVKGVVKEMAFFFKSPMDTNVINTHEQFVVLKEWYSNLK

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: 1u1i Chain A Residue 395

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1u1i Reaching for Mechanistic Consensus Across Life Kingdoms: Structure and Insights into Catalysis of the myo-Inositol-1-phosphate Synthase (mIPS) from Archaeoglobus fulgidus
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): G229 E230 T231 K278 K367
• Binding residue (residue number reindexed from 1): G229 E230 T231 K278 K367
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): D225 K367
• Catalytic site (residue number reindexed from 1): D225 K367
• Enzyme Commision number: 5.5.1.4: inositol-3-phosphate synthase.

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0004512 inositol-3-phosphate synthase activity

Biological Process

• GO:0006021 inositol biosynthetic process
• GO:0006629 lipid metabolic process
• GO:0008654 phospholipid biosynthetic process

Cellular Component

• GO:0005737 cytoplasm
• GO:0016020 membrane

External links

• PDB: RCSB:1u1i, PDBe:1u1i, PDBj:1u1i
• PDBsum: 1u1i
• PubMed: 15628862
• UniProt: O28480