Structure of PDB 4bju Chain B Binding Site BS01

Receptor Information

>4bju Chain B (length=542)

MASPAVRKAISDAALQYAKPEGKIFQYGTAGFRMKADLLNTVVYAVGLLA
TLRSKKLSGQWIGVMVTASHNPAEDNGVKLVDPMGEMLEAEWEAYATKLA
NAPLENIGDVYDELVKEIDVSMENPARVVFARDTRASGSRLIGVLSAALT
ATEAEFIDMKFMTTPQLHYVVRCKNTLGTQYEYGEPTEQGYYEKLAAAFK
RVMRGVKVKGSLTVDCANGVGGPKLRELIKYLPEDTGLDIKIVNDDVINP
DSLNFECGADYVKTKQRAPPSSKASILDRCASLDGDADRILYYFLDEGNV
FRLLDGDRIATLAASFIGDLARSAGIAQKLKIGVVQTAYANGSSTEYIEK
VLKLPSVCTNTGVKHLHHAAMRFDVGVYFEANGHGTITFSENALKTIKNT
EPQSPAQQRSLECLQALTDLINQAVGDAISDMLLVEAILAHKGWTPKEWL
ATYTDLPSRLVRVEVAERSIFKAYDAERKLESPPGLQAKIDSLQSRYNKG
RSFARASGTEDAVRVYAEAASRSEADDLATRVANAVRDAGTV

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 4bju Chain B Residue 998

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4bju Genetic and Structural Validation of Aspergillus Fumigatus N-Acetylphosphoglucosamine Mutase as an Antifungal Target.
• Resolution: 2.35 Å
• Binding residue (original residue number in PDB): S69 D284 D286 D288
• Binding residue (residue number reindexed from 1): S69 D284 D286 D288
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 5.4.2.3: phosphoacetylglucosamine mutase.

Gene Ontology

Molecular Function

• GO:0000287 magnesium ion binding
• GO:0004610 phosphoacetylglucosamine mutase activity
• GO:0016853 isomerase activity
• GO:0016868 intramolecular phosphotransferase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0005975 carbohydrate metabolic process
• GO:0006048 UDP-N-acetylglucosamine biosynthetic process

External links

• PDB: RCSB:4bju, PDBe:4bju, PDBj:4bju
• PDBsum: 4bju
• PubMed: 23844980
• UniProt: B0XPI4