Structure of PDB 6n63 Chain A Binding Site BS01

Receptor Information

>6n63 Chain A (length=141) Species: 1221996 (Bacillus thermotolerans)

KEELDAFHQIFTTTKEAIERFMAMLTPVIENAEDDHERLYYHHIYEEEEQ
RLSRLDVLIPLIEKFQDETDEGLFSPSNNAFNRLLQELNLEKFGLHNFIE
HVDLALFSFTDEERQTLLKELRKDAYEGYQYVKEKLAEINA

Ligand information

• Ligand ID: GOA
• InChI: InChI=1S/C2H4O3/c3-1-2(4)5/h3H,1H2,(H,4,5)
• InChIKey: AEMRFAOFKBGASW-UHFFFAOYSA-N
• SMILES:
  ACDLabs 12.01: O=C(O)CO
  OpenEye OEToolkits 1.7.0: C(C(=O)O)O
  CACTVS 3.370: OCC(O)=O
• Formula: C2 H4 O3
• Name: GLYCOLIC ACID;
  HYDROXYACETIC ACID;
  HYDROXYETHANOIC ACID
• ChEMBL: CHEMBL252557
• DrugBank: DB03085
• ZINC: ZINC000004658557
• PDB chain: 6n63 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6n63 Large protein organelles form a new iron sequestration system with high storage capacity.
• Resolution: 1.72 Å
• Binding residue (original residue number in PDB): L91 F94 G95 N98
• Binding residue (residue number reindexed from 1): L90 F93 G94 N97
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.16.3.1: ferroxidase.

Gene Ontology

Molecular Function

• GO:0004322 ferroxidase activity
• GO:0016491 oxidoreductase activity
• GO:0140315 iron ion sequestering activity

Biological Process

• GO:0006879 intracellular iron ion homeostasis
• GO:0006880 intracellular sequestering of iron ion

Cellular Component

• GO:0140737 encapsulin nanocompartment

External links

• PDB: RCSB:6n63, PDBe:6n63, PDBj:6n63
• PDBsum: 6n63
• PubMed: 31282860
• UniProt: A0A0F5HNH9|IMEF_BACTR Ferritin-like protein (Gene Name=IMEF)