Structure of PDB 5j6f Chain A Binding Site BS01

Receptor Information

>5j6f Chain A (length=352) Species: 1233873 (Geobacillus sp. GHH01)

NERLDELRARVDEINLQLLKLINERGRLVQEIGKIKEAQGTHRYDPVRER
KMLDLISEHNDGPFETSTLQHIFKEIFKAALELQEDDHRKALLVSRKKHP
ENTIVEVKGERIGDGNQYFVMGPCAVESYEQVAAVAEAVKKQGIKLLRGG
AYKPRTSPYDFQGLGVEGLKILKRIADEFDLAVISEIVTPADIEIALDYI
DVIQIGARNMQNFELLKAAGQVNKPILLKRGLAATIEEFINAAEYIMSQG
NGQIILCERGIRTYERATRNTLDISAVPILKKETHLPVFVDVTHSTGRRD
LLIPCAKAALAIGADGVMAEVHPDPAVALSDSAQQMDIAQFNEFMEEVRA
FQ

Ligand information

• Ligand ID: MN
• InChI: InChI=1S/Mn/q+2
• InChIKey: WAEMQWOKJMHJLA-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mn+2]
  CACTVS 3.341: [Mn++]
• Formula: Mn
• Name: MANGANESE (II) ION
• DrugBank: DB06757
• PDB chain: 5j6f Chain A Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5j6f Interdomain Conformational Changes Provide Allosteric Regulation en Route to Chorismate.
• Resolution: 2.75 Å
• Binding residue (original residue number in PDB): C126 H296 E322 D333
• Binding residue (residue number reindexed from 1): C124 H294 E320 D331
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 2.5.1.54: 3-deoxy-7-phosphoheptulonate synthase.
  5.4.99.5: chorismate mutase.

Gene Ontology

Molecular Function

• GO:0003849 3-deoxy-7-phosphoheptulonate synthase activity
• GO:0004106 chorismate mutase activity
• GO:0016740 transferase activity
• GO:0016832 aldehyde-lyase activity
• GO:0016853 isomerase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009058 biosynthetic process
• GO:0009073 aromatic amino acid family biosynthetic process
• GO:0046417 chorismate metabolic process

External links

• PDB: RCSB:5j6f, PDBe:5j6f, PDBj:5j6f
• PDBsum: 5j6f
• PubMed: 27502275
• UniProt: L8A208