Structure of PDB 7p5o Chain B Binding Site BS02

Receptor Information
>7p5o Chain B (length=558) Species: 746128 (Aspergillus fumigatus) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
LGSMSVQTVSIQPFTDQKPGTSGLRKKVKVFQQPHYSEAFVTSILLSIPE
GAEGAFLVIGGDGRYYNPEVIQKIAKISAAYGVKKLLIGQNGILSTPAAS
NLIRVRKATGGILLTASHNPGGPNADFGIKYNLCNGAPAPESVTNKIYET
SKSLTSYKIAEIPDVDTSTIGTKTYGPLEVEIVHSTSDYLKMLKEIFDFD
LIKEFLSTHKDFKVLFDGMHGVTGPYGVDIFVKELGLPQDSTMNCVPSPD
FNGGHPDPNLVYAHELVEAVDKKGIHFGAASDGDGDRNMIYGANTFVSPG
DSLAIIAHHAKLIPWFQKQGVYGLARSMPTSGAVDLVAKAQGLQSYEVPT
GWKFFCNLFDNKKISICGEESFGTGSNHIREKDGVWAIVAWLNIIAGVAK
QKPNETPSIASIQNEFWQTYGRTFFTRYDYENVDSDAANKLIANLSEKIN
NKDSFVGSTVSGRKVADAGNFAYTDLDGSVTKNQGLYVKFDDGSRLVVRL
SGTGSSGATIRLYIEKYESDKSKFGMNTQDYLKDNVALAMSLLKFKEYIG
REDPDVKT
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 chain7p5o Chain B Residue 602 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB7p5o Targeting an essential step in the biosynthetic pathway of uridine diphosphate glucose in Aspergillus fumigatus
Resolution2.48 Å
Binding residue
(original residue number in PDB)		S114 D279 D281 D283
Binding residue
(residue number reindexed from 1)		S117 D282 D284 D286
Annotation score1
Enzymatic activity
Enzyme Commision number 5.4.2.2: phosphoglucomutase (alpha-D-glucose-1,6-bisphosphate-dependent).
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0004614 phosphoglucomutase activity
GO:0016853 isomerase activity
GO:0016868 intramolecular phosphotransferase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006006 glucose metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:7p5o, PDBe:7p5o, PDBj:7p5o
PDBsum7p5o
PubMed
UniProtQ4WY53|PGM_ASPFU Phosphoglucomutase (Gene Name=pgmA)

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