Structure of PDB 4myf Chain A Binding Site BS01

Receptor Information

>4myf Chain A (length=289) Species: 5693 (Trypanosoma cruzi)

TDDPRLLSLFSAQREEDADIVIIGFPYDEGCVRNGGRAGAKKGPAAFRFF
LQRLGSVNNLELNVDASHLKLYDAGDITASTLEEAHEKLESKVFTVLARG
AFPFVIGGGNDQSAPNGRAMLRAFPGDVGVINVDSHLDVRPGTPFRQLLE
ESSFSGKRFVEFACQGSQCGALHAQYVRDHQGHLMWLSEVRKKGAVAALE
DAFGLTGKNTFFSFDVDSLKSSDMPGVSCPAAVGLSAQEAFDMCFLAGKT
PTVMMMDMSELNPLVEEYRSPRVAVYMFYHFVLGFATRP

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: 4myf Chain A Residue 400

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4myf Formiminoglutamase from trypanosoma cruzi is an arginase-like manganese metalloenzyme.
• Resolution: 1.799 Å
• Binding residue (original residue number in PDB): N114 D138 D142 D228
• Binding residue (residue number reindexed from 1): N110 D134 D138 D215
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): N114 D138 H140 D142 D228 D230 E273
• Catalytic site (residue number reindexed from 1): N110 D134 H136 D138 D215 D217 E260
• Enzyme Commision number: 3.5.3.8: formimidoylglutamase.

Gene Ontology

Molecular Function

• GO:0008783 agmatinase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0033389 putrescine biosynthetic process from arginine, using agmatinase

External links

• PDB: RCSB:4myf, PDBe:4myf, PDBj:4myf
• PDBsum: 4myf
• PubMed: 24261485
• UniProt: Q4DSA0