Structure of PDB 5dnl Chain A Binding Site BS01

Receptor Information
>5dnl Chain A (length=176) Species: 2261 (Pyrococcus furiosus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MRRTTKETDIIVEIGKKGEIKTNDLILDHMLTAFAFYLGKDMRITATYDL
RHHLWEDIGITLGEALRENLPEKFTRFGNAIMPMDDALVLVSVDISNRPY
ANVDVNIKDAEEGFAVSLLKEFVWGLARGLRATIHIKQLSGENAHHIVEA
AFKGLGMALRVATKESERVESTKGVL
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 chain5dnl Chain A Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5dnl Mirror-Image Packing Provides a Molecular Basis for the Nanomolar Equipotency of Enantiomers of an Experimental Herbicide.
Resolution1.53 Å
Binding residue
(original residue number in PDB)		H52 E56 E121
Binding residue
(residue number reindexed from 1)		H52 E56 E121
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.19: imidazoleglycerol-phosphate dehydratase.
Gene Ontology
Molecular Function
GO:0004424 imidazoleglycerol-phosphate dehydratase activity
GO:0016829 lyase activity
Biological Process
GO:0000105 L-histidine biosynthetic process
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Cellular Component
External links
PDB RCSB:5dnl, PDBe:5dnl, PDBj:5dnl
PDBsum5dnl
PubMed27717128
UniProtP58880|HIS7_PYRFU Imidazoleglycerol-phosphate dehydratase (Gene Name=hisB)

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