Structure of PDB 3bzn Chain A Binding Site BS01

Receptor Information

>3bzn Chain A (length=430) Species: 83333 (Escherichia coli K-12)

MQSLTTALENLLRHLSQEIPATPGIRVIDIPFPLKDAFDALSWLASQQTY
PQFYWQQRNGDEEAVVLGAITRFTSLDQAQRFLRQHPEHADLRIWGLNAF
DPSQGNLLLPRLEWRRCGGKATLRLTLFSESSLQHDAIQAKEFIATLVSI
KPLPGLHLTTTREQHWPDKTGWTQLIELATKTIAEGELDKVVLARATDLH
FASPVNAAAMMAASRRLNLNCYHFYMAFDGENAFLGSSPERLWRRRDKAL
RTEALAGTVANNPDDKQAQQLGEWLMADDKNQRENMLVVEDICQRLQADT
QTLDVLPPQVLRLRKVQHLRRCIWTSLNKADDVICLHQLQPTAAVAGLPR
DLARQFIARHEPFTREWYAGSAGYLSLQQSEFCVSLRSAKISGNVVRLYA
GAGIVRGSDPEQEWQEIDNKAAGLRTLLQM

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: 3bzn Chain A Residue 501

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3bzn Structure of isochorismate synthase in complex with magnesium.
• Resolution: 2.0 Å
• Binding residue (original residue number in PDB): E284 E416
• Binding residue (residue number reindexed from 1): E284 E416
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K190 E240 A256 E284 H318 A344 Y368 R387 G403 E416 K420
• Catalytic site (residue number reindexed from 1): K190 E240 A256 E284 H318 A344 Y368 R387 G403 E416 K420
• Enzyme Commision number: 5.4.4.2: isochorismate synthase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0008909 isochorismate synthase activity
• GO:0016853 isomerase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0009058 biosynthetic process
• GO:0009234 menaquinone biosynthetic process

External links

• PDB: RCSB:3bzn, PDBe:3bzn, PDBj:3bzn
• PDBsum: 3bzn
• PubMed: 18453696
• UniProt: P38051|MENF_ECOLI Isochorismate synthase MenF (Gene Name=menF)