Structure of PDB 4qg5 Chain B Binding Site BS01

Receptor Information
>4qg5 Chain B (length=559) Species: 5664 (Leishmania major) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
TANFVQSTFNALHRQGAVPDVLVVGGDGRYYTSEAVQVILKVSAANGVRC
VWVGQHGLLSTPAVSTMVRRRRDADGRKATGAFILTASHNPGGPDADFGI
KYNSENGGPAPEKLTSQIYEETVKITHIKMAPTLPEVDIHTLGTYTFDDY
NFQVEVVDSLADYAAYMQEVFDFEAIRALVQRLDFKVHVDSLHGVSGPYV
DRIFHEGLGVPKTSLFRTNVLPDFGGCHPDPNLTYAADLVHVMGLLPDGN
ANPAMKHISTVPSFGVAFDGDADRNMILGCRFFVNPSDSLAVLAANADCV
PFFTQSSSSGLKAVARSMPTSGAVDRVAAAHDFALFEVPTGWKFFGNLMD
SKDLYGGKDFNPLLCGEESFGTGSNHIREKDGIWASLFWLSVIAKRNAPG
TPLVGVQQIVEEHWATYGRNYYSRYDYEDVSAEAAKAVMDTVENTVVDDV
PNLNGVACKTIDNFSYTDPIDGSVSTKQGVRVLFEDGSRFVLRLSGTGSS
GATIRLYLEQYMDSATVKSHLAEKTLPTASTALKALIGVALQVSKMESLT
GRKTPTVIT
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 chain4qg5 Chain B Residue 601 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
Global viewLocal viewStructure summary

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PDB4qg5 Crystal structure of phosphoglucomutase from Leishmania major at 3.5 angstrom resolution
Resolution3.5 Å
Binding residue
(original residue number in PDB)		S118 D299 D301 D303
Binding residue
(residue number reindexed from 1)		S88 D269 D271 D273
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) S118 H119 D299 D301 D303 R304 K410
Catalytic site (residue number reindexed from 1) S88 H89 D269 D271 D273 R274 K380
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
Cellular Component
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:4qg5, PDBe:4qg5, PDBj:4qg5
PDBsum4qg5
PubMed
UniProtQ4QCF1

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