Structure of PDB 3ahe Chain A Binding Site BS01

Receptor Information
>3ahe Chain A (length=802) Species: 1685 (Bifidobacterium breve) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
VIGTPWQKLDRPVSEEAIEGMDKYWRVTNYMSIGQIYLRSNPLMKEPFTR
DDVKHRLVGHWGTTPGLNFLLAHINRLIADHQQNTVFIMGPGHGGPAGTS
QSYVDGTYTEYYPNITKDEAGLQKFFRQFSYPGGIPSHFAPETPGSIHEG
GELGYALSHAYGAVMNNPSLFVPCIIGDGEAETGPLATGWQSNKLVNPRT
DGIVLPILHLNGYKIANPTILARISDEELHDFFRGMGYHPYEFVAGFDNE
DHMSIHRRFAELFETIFDEICDIKAAAQTDDMTRPFYPMLIFRTPKGWTC
PKFIDGKKTEGSWRAHQVPLASARDTEEHFEVLKGWMESYKPEELFNADG
SIKDDVTAFMPKGELRIGANPNANGGVIREDLKLPELDQYEVTGVKEYGH
GWGQVEAPRALGAYCRDIIKNNPDSFRIFGPDETASNRLNATYEVTDKQW
DNGYLSGLVDEHMAVTGQVTEQLSEHQCEGFLEAYLLTGRHGIWSSYESF
VHVIDSMLNQHAKWLEATVREIPWRKPISSVNLLVSSHVWRQDHNGFSHQ
DPGVTSLLINKTFNNDHVTNIYFATDANMLLAISEKCFKSTNKINAIFAG
KQPAPTWVTLDEARAELEAGAAEWKWASNAENNDEVQVVLASAGDVPTQE
LMAASDALNKMGIKFKVVNVVDLLKLQSRENNDEALTDEEFTELFTADKP
VLFAYHSYAQDVRGLIYDRPNHDNFHVVGYKEQGSTTTPFDMVRVNDMDR
YALQAAALKLIDADKYADKIDELNAFRKKAFQFAVDNGYDIPEFTDWVYP
DV
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 chain3ahe Chain A Residue 826 [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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PDB3ahe Crystal Structures of phosphoketolase: thiamine diphosphate-dependent dehydration mechanism
Resolution2.1 Å
Binding residue
(original residue number in PDB)		D182 N215 Y217
Binding residue
(residue number reindexed from 1)		D178 N211 Y213
Annotation score4
Enzymatic activity
Enzyme Commision number 4.1.2.-
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0016829 lyase activity
GO:0016832 aldehyde-lyase activity
GO:0046872 metal ion binding
Biological Process
GO:0005975 carbohydrate metabolic process

View graph for
Molecular Function
View graph for
Biological Process
External links
PDB RCSB:3ahe, PDBe:3ahe, PDBj:3ahe
PDBsum3ahe
PubMed20739284
UniProtD6PAH1

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