Structure of PDB 8bp7 Chain F Binding Site BS01

Receptor Information

>8bp7 Chain F (length=373) Species: 1140 (Synechococcus elongatus PCC 7942 = FACHB-805)

AVSEFRPGLEGVPATLSSISFVDGQRGVLEYRGISIEQLAQQSSFLETAY
LLIWGHLPTQQELTEFEHEIRYHRRIKFRIRDMMKCFPDSGHPMDALQAS
AAALGLFYSRRALDDPEYIRAAVVRLLAKIPTMVAAFQLIRKGNDPIQPR
DELDYAANFLYMLTEREPDPVAARIFDICLTLHAEHTINASTFSAMVTAS
TLTDPYAVVASAVGTLAGPLHGGANEEVLDMLEAIGSVENVEPYLDHCIA
TKTRIMGFGHRVYKVKDPRAVILQNLAEQLFDIFGHDPYYEIAVAVEKAA
AERLSHKNVDFYSGLVYRKLGIPSDLFTPVFAIARVAGWLAHWKEQLNEN
RIFRPTQIYTGSHNLDYTPIADR

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 8bp7 Chain F Residue 406

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8bp7 Emergence of fractal geometries in the evolution of a metabolic enzyme.
• Resolution: 2.71 Å
• Binding residue (original residue number in PDB): S46 F47 L48 D179
• Binding residue (residue number reindexed from 1): S44 F45 L46 D177
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.3.3.16: citrate synthase (unknown stereospecificity).

Gene Ontology

Molecular Function

• GO:0004108 citrate (Si)-synthase activity
• GO:0016746 acyltransferase activity
• GO:0036440 citrate synthase activity
• GO:0046872 metal ion binding
• GO:0046912 acyltransferase activity, acyl groups converted into alkyl on transfer

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0006099 tricarboxylic acid cycle

Cellular Component

• GO:0005737 cytoplasm
• GO:0005829 cytosol

External links

• PDB: RCSB:8bp7, PDBe:8bp7, PDBj:8bp7
• PDBsum: 8bp7
• PubMed: 38600380
• UniProt: Q31QM5