Structure of PDB 6fwh Chain I Binding Site BS01

Receptor Information
>6fwh Chain I (length=194) Species: 5755 (Acanthamoeba castellanii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
REAQVARETGETKIEVRLSLDGTGVSDVKTGIGFLDHMLSALAKHGRFDL
YLRCAGDLHVDDHHTSEDCAIVLGQAFRQAIGERKGIKRYGSAYAPLDES
LARAVVDISSRPFAVIDLKLKREKIGELSCEMIPHVLHSFATSANLTLHV
EVLYGANDHHKAESAFKATALALREAVTKDGPADAVPSTKGVLE
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 chain6fwh Chain I Residue 201 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB6fwh Structural and functional studies of histidine biosynthesis in Acanthamoeba spp. demonstrates a novel molecular arrangement and target for antimicrobials.
Resolution1.79 Å
Binding residue
(original residue number in PDB)		H40 H162 E166
Binding residue
(residue number reindexed from 1)		H37 H159 E163
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
GO:0046872 metal ion binding
Biological Process
GO:0000105 L-histidine biosynthetic process

View graph for
Molecular Function
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Biological Process
External links
PDB RCSB:6fwh, PDBe:6fwh, PDBj:6fwh
PDBsum6fwh
PubMed29969448
UniProtL8H477

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