Structure of PDB 3mx6 Chain A Binding Site BS02

Receptor Information

>3mx6 Chain A (length=257) Species: 782 (Rickettsia prowazekii)

IKIHTEKDFIKMRAAGKLAAETLDFITDHVKPNVTTNSLNDLCHNFITSH
NAIPAPLNYKGFPKSICTSINHVVCHGIPNDKPLKNGDIVNIDVTVILDG
WYGDTSRMYYVGDVAIKPKRLIQVTYDAMMKGIEVVRPGAKLGDIGYAIQ
SYAEKHNYSVVRDYTGHGIGRVFHDKPSILNYGRNGTGLTLKEGMFFTVE
PMINAGNYDTILSKLDGWTVTTRDKSLSAQFEHTIGVTKDGFEIFTLSPK
KLDYPPY

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: 3mx6 Chain A Residue 259

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3mx6 Rickettsia prowazekii methionine aminopeptidase as a promising target for the development of antibacterial agents.
• Resolution: 1.7 Å
• Binding residue (original residue number in PDB): D105 H168 T199 E201 E233
• Binding residue (residue number reindexed from 1): D104 H167 T198 E200 E232
• Annotation score: 4

Enzymatic activity

• Catalytic site (original residue number in PDB): D94 D105 H168 H175 E201 E233
• Catalytic site (residue number reindexed from 1): D93 D104 H167 H174 E200 E232
• 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

External links

• PDB: RCSB:3mx6, PDBe:3mx6, PDBj:3mx6
• PDBsum: 3mx6
• PubMed: 28089350
• UniProt: Q9ZCD3|MAP1_RICPR Methionine aminopeptidase (Gene Name=map)