Structure of PDB 6bn2 Chain A Binding Site BS01

Receptor Information

>6bn2 Chain A (length=393) Species: 1338011 (Elizabethkingia anophelis NUHP1)

MKEVFIVSAVRTPMGSFMGSLSGVPATQLGAVAIKGALDKINLNPAEIQD
VYMGNVLQAGEGQAPAKQAALGAGLPNTTPTTAVNKVCASGMKAVMMAAQ
AVKAGDVEAIVAGGMENMSQVPHYIDGRNGVKLGDIKLQDGLLKDGLTDV
YSKQHMGNCAELCAKEYNITREEQDAFAIQSYERSAKAWSEGKFKEEVVP
VSIPQRKGEPIIFAEDEEYKNVKFDRIPTLPTVFQKENGTVTAANASTLN
DGASALVLMSKEKMESLGLKPLAKIVSYADAAQAPEWFTTAPAKALPIAL
AKANLTINDIDFFEFNEAFSVVGLANNKILGLDAAKVNVNGGAVALGHPL
GSSGSRIIVTLINVLKQNNAKYGAAAICNGGGGASAIVIENIK

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: 6bn2 Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 6bn2 Crystal structure of Acetyl-CoA acetyltransferase from Elizabethkingia anophelis NUHP1
• Resolution: 1.65 Å
• Binding residue (original residue number in PDB): Y182 A243 A244 A246 V344
• Binding residue (residue number reindexed from 1): Y182 A243 A244 A246 V344
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): C88 H348 C378 G380
• Catalytic site (residue number reindexed from 1): C88 H348 C378 G380
• Enzyme Commision number: 2.3.1.9: acetyl-CoA C-acetyltransferase.

Gene Ontology

Molecular Function

• GO:0003985 acetyl-CoA C-acetyltransferase activity
• GO:0016746 acyltransferase activity
• GO:0016747 acyltransferase activity, transferring groups other than amino-acyl groups
• GO:0046872 metal ion binding

Biological Process

• GO:0006635 fatty acid beta-oxidation

External links

• PDB: RCSB:6bn2, PDBe:6bn2, PDBj:6bn2
• PDBsum: 6bn2
• UniProt: A0A077EEP0