Structure of PDB 5dxo Chain B Binding Site BS01

Receptor Information
>5dxo Chain B (length=272) Species: 330879 (Aspergillus fumigatus Af293) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
GTPALDRAKLLKQYRKARKRLFMFDYDGTLTPIVKDPQAAIPSDRVLRTL
KTLAADPRNAVWIISGRDQAFLDEWMGHIPELGLSAEHGCFIRQPRSDDW
ENLAESSDMGWQKEVMEVFQHFTERTQGSFIERKRVALTWHYRRADPEYG
AFQARECRKMLEETVAKRWEVEVMAGKANLEVRPTFVNKGFIAARLVQEY
GTDPAQAPEFVLCLGDDFTDEDMFRALKKSGLPAGHVFSVTVGASSKQTE
ASWHLLEPADVIGTISMLNNSS
Ligand information
Ligand IDMG
InChIInChI=1S/Mg/q+2
InChIKeyJLVVSXFLKOJNIY-UHFFFAOYSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Mg+2]
CACTVS 3.341[Mg++]
FormulaMg
NameMAGNESIUM ION
ChEMBL
DrugBankDB01378
ZINC
PDB chain5dxo Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5dxo Structures of trehalose-6-phosphate phosphatase from pathogenic fungi reveal the mechanisms of substrate recognition and catalysis.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D24 D26 D215
Binding residue
(residue number reindexed from 1)		D25 D27 D216
Annotation score1
Enzymatic activity
Enzyme Commision number 2.4.1.15: alpha,alpha-trehalose-phosphate synthase (UDP-forming).
Gene Ontology
Molecular Function
GO:0003824 catalytic activity
Biological Process
GO:0005992 trehalose biosynthetic process

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Molecular Function
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Biological Process
External links
PDB RCSB:5dxo, PDBe:5dxo, PDBj:5dxo
PDBsum5dxo
PubMed27307435
UniProtQ4WWF5

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