Structure of PDB 6ag0 Chain A Binding Site BS14

Receptor Information

>6ag0 Chain A (length=482) Species: 1422 (Geobacillus stearothermophilus)

PFNGTMMQYFEWYLPDDGTLWTKVANEANNLSSLGITALWLPPAYKGTSR
SDVGYGVYDLYDLGEFNQKGTVRTKYGTKAQYLQAIQAAHAAGMQVYADV
VFDHKGGADGTEWVDAVEVNPSDRNQEISGTYQIQAWTKFDFPGRGNTYS
SFKWRWYHFDGVDWDESRKLSRIYKFRGIGKAWDWEVDTENGNYDYLMYA
DLDMDHPEVVTELKNWGKWYVNTTNIDGFRLDAVKHIKFSFFPDWLSYVR
SQTGKPLFTVGEYWSYDINKLHNYITKTNGTMSLFDAPLHNKFYTASKSG
GAFDMRTLMTNTLMKDQPTLAVTFVDNHDTEPGQALQSWVDPWFKPLAYA
FILTRQEGYPGVFYGDYYGIPQYNIPSLKSKIDPLLIARRDYAYGTQHDY
LDHSDIIGWTREGVTEKPGSGLAALITDGPGGSKWMYVGKQHAGKVFYDL
TGNRSDTVTITSDGWGEFKVNGGSVSVWVPRK

Ligand information

• Ligand ID: CA
• InChI: InChI=1S/Ca/q+2
• InChIKey: BHPQYMZQTOCNFJ-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.341: [Ca++]
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Ca+2]
• Formula: Ca
• Name: CALCIUM ION
• DrugBank: DB14577
• PDB chain: 6ag0 Chain A Residue 603

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6ag0 Crystal structure of a maltooligosaccharide-forming amylase from Bacillus stearothermophilus STB04.
• Resolution: 2.2 Å
• Binding residue (original residue number in PDB): G303 F305 S406 D407 D430
• Binding residue (residue number reindexed from 1): G301 F303 S404 D405 D428
• Annotation score: 4

Enzymatic activity

• Enzyme Commision number: 3.2.1.1: alpha-amylase.

Gene Ontology

Molecular Function

• GO:0004553 hydrolase activity, hydrolyzing O-glycosyl compounds
• GO:0004556 alpha-amylase activity
• GO:0005509 calcium ion binding
• GO:0016798 hydrolase activity, acting on glycosyl bonds
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process

External links

• PDB: RCSB:6ag0, PDBe:6ag0, PDBj:6ag0
• PDBsum: 6ag0
• PubMed: 31325505
• UniProt: Q9KWY6