Structure of PDB 4myk Chain A Binding Site BS01

Receptor Information
>4myk Chain A (length=288) Species: 5693 (Trypanosoma cruzi) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TDDPRLLSLFSAQREEDADIVIIGFPYDEGCVRNGGRAGAKKGPAAFRFF
LQRLGSVNNLELNVDASHLKLYDAGDITASTLEEAHEKLESKVFTVLARG
AFPFVIGGGNDQSAPNGRAMLRAFPGDVGVINVDSHLDVRGTPFRQLLEE
SSFSGKRFVEFACQGSQCGALHAQYVRDHQGHLMWLSEVRKKGAVAALED
AFGLTGKNTFFSFDVDSLKSSDMPGVSCPAAVGLSAQEAFDMCFLAGKTP
TVMMMDMSELNPLVEEYRSPRVAVYMFYHFVLGFATRP
Ligand information
Ligand IDMN
InChIInChI=1S/Mn/q+2
InChIKeyWAEMQWOKJMHJLA-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0
[Mn+2]
CACTVS 3.341[Mn++]
FormulaMn
NameMANGANESE (II) ION
ChEMBL
DrugBankDB06757
ZINC
PDB chain4myk Chain A Residue 400 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4myk Formiminoglutamase from trypanosoma cruzi is an arginase-like manganese metalloenzyme.
Resolution1.518 Å
Binding residue
(original residue number in PDB)
N114 D138 D228
Binding residue
(residue number reindexed from 1)
N110 D134 D214
Annotation score1
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 D214 D216 E259
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

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Molecular Function

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Biological Process
External links
PDB RCSB:4myk, PDBe:4myk, PDBj:4myk
PDBsum4myk
PubMed24261485
UniProtQ4DSA0

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