Structure of PDB 3mos Chain A Binding Site BS02

Receptor Information
>3mos Chain A (length=616) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SYHKPDQQKLQALKDTANRLRISSIQATTAAGSGHPTSCCSAAEIMAVLF
FHTMRYKSQDPRNPHNDRFVLSKGHAAPILYAVWAEAGFLAEAELLNLRK
ISSDLDGHPVPKQAFTDVATGSLGQGLGAACGMAYTGKYFDKASYRVYCL
LGDGELSEGSVWEAMAFASIYKLDNLVAILDINRLGQSDPAPLQHQMDIY
QKRCEAFGWHAIIVDGHSVEELCKAFGQAKHQPTAIIAKTFKGRGITGVE
DKESWHGKPLPKNMAEQIIQEIYSQIQSKKKILATPPQEDAPSVDIANIR
MPSLPSYKVGDKIATRKAYGQALAKLGHASDRIIALDGDTKNSTFSEIFK
KEHPDRFIECYIAEQNMVSIAVGCATRNRTVPFCSTFAAFFTRAFDQIRM
AAISESNINLCGSHCGVSIGEDGPSQMALEDLAMFRSVPTSTVFYPSDGV
ATEKAVELAANTKGICFIRTSRPENAIIYNNNEDFQVGQAKVVLKSKDDQ
VTVIGAGVTLHEALAAAELLKKEKINIRVLDPFTIKPLDRKLILDSARAT
KGRILTVEDHYYEGGIGEAVSSAVVGEPGITVTHLAVNRVPRSGKPAELL
KMFGIDRDAIAQAVRG
Ligand information
Ligand IDCA
InChIInChI=1S/Ca/q+2
InChIKeyBHPQYMZQTOCNFJ-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.341[Ca++]
ACDLabs 10.04
OpenEye OEToolkits 1.5.0		[Ca+2]
FormulaCa
NameCALCIUM ION
ChEMBL
DrugBankDB14577
ZINC
PDB chain3mos Chain A Residue 1 [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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PDB3mos The crystal structure of human transketolase and new insights into its mode of action.
Resolution1.75 Å
Binding residue
(original residue number in PDB)		D155 N185 L187
Binding residue
(residue number reindexed from 1)		D153 N183 L185
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) H37 K244 H258 E366 R395 Q428
Catalytic site (residue number reindexed from 1) H35 K242 H256 E364 R393 Q426
Enzyme Commision number 2.2.1.1: transketolase.
Gene Ontology
Molecular Function
GO:0000287 magnesium ion binding
GO:0003824 catalytic activity
GO:0004802 transketolase activity
GO:0005509 calcium ion binding
GO:0005515 protein binding
GO:0016740 transferase activity
GO:0016744 transketolase or transaldolase activity
GO:0030976 thiamine pyrophosphate binding
GO:0042803 protein homodimerization activity
GO:0046872 metal ion binding
Biological Process
GO:0006098 pentose-phosphate shunt
GO:0006796 phosphate-containing compound metabolic process
GO:0009052 pentose-phosphate shunt, non-oxidative branch
GO:0019637 organophosphate metabolic process
GO:0040008 regulation of growth
GO:0046166 glyceraldehyde-3-phosphate biosynthetic process
GO:1901135 carbohydrate derivative metabolic process
GO:1901159 xylulose 5-phosphate biosynthetic process
Cellular Component
GO:0005654 nucleoplasm
GO:0005737 cytoplasm
GO:0005777 peroxisome
GO:0005789 endoplasmic reticulum membrane
GO:0005829 cytosol
GO:0016604 nuclear body
GO:0031982 vesicle
GO:0070062 extracellular exosome

View graph for
Molecular Function
View graph for
Biological Process
View graph for
Cellular Component
External links
PDB RCSB:3mos, PDBe:3mos, PDBj:3mos
PDBsum3mos
PubMed20667822
UniProtP29401|TKT_HUMAN Transketolase (Gene Name=TKT)

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