Structure of PDB 8xfr Chain A Binding Site BS05

Receptor Information

>8xfr Chain A (length=480) Species: 1328314 (Azotobacter chroococcum NCIMB 8003)

MDFDVKDFGAKGDGKSDDTEAIQAAIDAAYEAGGGTVRLSAGEYRVSGGD
EASDGALMIKSNVYMDGAGMGETVIKLVDGWDQKLTGIIRSKNGEKTHDY
GIRDLTLDGNQDNTEGEVDGFYTGYIPREDGADYNVTAERVEIREVSRYG
FDPHEQTINLTIRDSVAHNNGKDGFVGDFQIDSTFENNVSHDNGRHGFNI
VTSSHDILLRDNVAYGNGANGLVVQRGSEDIAHPYNIQIEGGAYHDNGAE
GVLIKMTSNASLQGAEIYGNDAAGVRVRGVDGMQLLDNDIHDNAQGGGKA
EIVLEDYDDRDGVSGNYYETLNATVQGNRVAGAAQLLSSEGRDLLDGAAG
NDLLDGGAGRDTLSGGGGADTFRFADRQDSFRNYEGDTSRVDDIVDFTPG
ADLIDLSGLGYSGLGDGYNGTLALLLNEDGTKTYLKDRQADAQGNHFEIA
LDGNLVDSLSATDIAFDATQLELLGTTDLQ

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: 8xfr Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8xfr Structural basis for the minimal bifunctional alginate epimerase AlgE3 from Azotobacter chroococcum.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): S91 K92 E95 T97 G124 D133
• Binding residue (residue number reindexed from 1): S91 K92 E95 T97 G124 D133
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 5.1.3.37: mannuronan 5-epimerase.

Gene Ontology

Molecular Function

• GO:0005509 calcium ion binding
• GO:0016829 lyase activity
• GO:0016853 isomerase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0042121 alginic acid biosynthetic process

External links

• PDB: RCSB:8xfr, PDBe:8xfr, PDBj:8xfr
• PDBsum: 8xfr
• PubMed: 38649293
• UniProt: A0A0C4WKK2