Structure of PDB 3ahf Chain A Binding Site BS03

Receptor Information
>3ahf 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 IDPO4
InChIInChI=1S/H3O4P/c1-5(2,3)4/h(H3,1,2,3,4)/p-3
InChIKeyNBIIXXVUZAFLBC-UHFFFAOYSA-K
SMILES
SoftwareSMILES
CACTVS 3.341[O-][P]([O-])([O-])=O
ACDLabs 10.04[O-]P([O-])([O-])=O
OpenEye OEToolkits 1.5.0[O-]P(=O)([O-])[O-]
FormulaO4 P
NamePHOSPHATE ION
ChEMBL
DrugBankDB14523
ZINC
PDB chain3ahf Chain A Residue 828 [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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PDB3ahf Crystal Structures of phosphoketolase: thiamine diphosphate-dependent dehydration mechanism
Resolution2.3 Å
Binding residue
(original residue number in PDB)		H64 I219 Q321
Binding residue
(residue number reindexed from 1)		H60 I215 Q317
Annotation score3
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:3ahf, PDBe:3ahf, PDBj:3ahf
PDBsum3ahf
PubMed20739284
UniProtD6PAH1

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