Structure of PDB 3tav Chain A Binding Site BS01

Receptor Information

>3tav Chain A (length=264) Species: 561007 (Mycobacteroides abscessus ATCC 19977)

VGLFGRKKTVEQRTPGELDAMAAAGSIVGAALVAVRDAAKAGVSTLELDQ
VAESVIREAGAVPSFLGYHGFPASICSSVNDQVVHGIPSATAVLADGDLV
SIDCGAILDGWHGDSAWTFAVGTVIPSDEALSEATRLSMEAGIAAMIPGN
RLTDVSHAIELGTRAAEKQFDRAFGIVDGYGGHGIGRSMHLDPFLPNEGA
PGKGPLLAVGSVLAIEPMLTLGTTQTRVLADDWTVVTTDGSRAAHWEHTV
AVTEAGPRILTMRP

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: 3tav Chain A Residue 266

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3tav Increasing the structural coverage of tuberculosis drug targets.
• Resolution: 2.15 Å
• Binding residue (original residue number in PDB): D115 H184 E217 E248
• Binding residue (residue number reindexed from 1): D114 H183 E216 E247
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D104 D115 H184 H191 E217 E248
• Catalytic site (residue number reindexed from 1): D103 D114 H183 H190 E216 E247
• Enzyme Commision number: 3.4.11.18: methionyl aminopeptidase.

Gene Ontology

Molecular Function

• GO:0004177 aminopeptidase activity
• GO:0004239 initiator methionyl aminopeptidase activity
• GO:0008235 metalloexopeptidase activity
• GO:0046872 metal ion binding
• GO:0046914 transition metal ion binding
• GO:0070006 metalloaminopeptidase activity

Biological Process

• GO:0006508 proteolysis

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:3tav, PDBe:3tav, PDBj:3tav
• PDBsum: 3tav
• PubMed: 25613812
• UniProt: B1MGB2