Structure of PDB 1ag9 Chain B Binding Site BS03

Receptor Information

>1ag9 Chain B (length=175) Species: 562 (Escherichia coli)

AITGIFFGSDTGNTENIAKMIQKQLGKDVADVHDIAKSSKEDLEAYDILL
LGIPTWYYGEAQCDWDDFFPTLEEIDFNGKLVALFGCGDQEDYAEYFCDA
LGTIRDIIEPRGATIVGHWPTAGYHFEASKGLADDDHFVGLAIDEDRQPE
LTAERVEKWVKQISEELHLDEILNA

Ligand information

• Ligand ID: BTB
• InChI: InChI=1S/C8H19NO5/c10-3-1-9(2-4-11)8(5-12,6-13)7-14/h10-14H,1-7H2
• InChIKey: OWMVSZAMULFTJU-UHFFFAOYSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: C(CO)N(CCO)C(CO)(CO)CO
  ACDLabs 10.04: OCCN(C(CO)(CO)CO)CCO
  CACTVS 3.341: OCCN(CCO)C(CO)(CO)CO
• Formula: C8 H19 N O5
• Name: 2-[BIS-(2-HYDROXY-ETHYL)-AMINO]-2-HYDROXYMETHYL-PROPANE-1,3-DIOL;
  BIS-TRIS BUFFER
• ZINC: ZINC000001615342
• PDB chain: 1ag9 Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1ag9 A flavodoxin that is required for enzyme activation: the structure of oxidized flavodoxin from Escherichia coli at 1.8 A resolution.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): R148 P150 E151
• Binding residue (residue number reindexed from 1): R147 P149 E150
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0000166 nucleotide binding
• GO:0005515 protein binding
• GO:0009055 electron transfer activity
• GO:0010181 FMN binding

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:1ag9, PDBe:1ag9, PDBj:1ag9
• PDBsum: 1ag9
• PubMed: 9416602
• UniProt: P61949|FLAV_ECOLI Flavodoxin 1 (Gene Name=fldA)