Structure of PDB 4xz9 Chain B Binding Site BS01

Receptor Information
>4xz9 Chain B (length=217) Species: 273075 (Thermoplasma acidophilum DSM 1728) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIFLDTANIDEIRTGVNWGIVDGVTTNPTLISKEAVNGKKYGDIIREIL
KIVDGPVSVQVVSTKYEGMVEEARKIHGLGDNAVVKIPMTEDGLRAIKTL
SSEHINTNCTLVFNPIQALLAAKAGVTYVSPYVGRLDDIGEDGMQIIDMI
RTIFNNYIIKTQILVASIRNPIHVLRSAVIGADVVTVPFNVLKSLMKHPK
TDEGLAKFLEDWKKVSP
Ligand information
Ligand IDPDO
InChIInChI=1S/C3H8O2/c4-2-1-3-5/h4-5H,1-3H2
InChIKeyYPFDHNVEDLHUCE-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(CO)CO
ACDLabs 11.02
CACTVS 3.352		OCCCO
FormulaC3 H8 O2
Name1,3-PROPANDIOL
ChEMBLCHEMBL379652
DrugBankDB02774
ZINCZINC000001529437
PDB chain4xz9 Chain B Residue 301 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB4xz9 Converting Transaldolase into Aldolase through Swapping of the Multifunctional Acid-Base Catalyst: Common and Divergent Catalytic Principles in F6P Aldolase and Transaldolase.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		D6 T26 N28 K86 S130
Binding residue
(residue number reindexed from 1)		D6 T26 N28 K86 S130
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) D6 Q60 K86 T110 Y132
Catalytic site (residue number reindexed from 1) D6 Q60 K86 T110 Y132
Enzyme Commision number 2.2.1.2: transaldolase.
Gene Ontology
Molecular Function
GO:0004801 transaldolase activity
GO:0016740 transferase activity
GO:0016832 aldehyde-lyase activity
Biological Process
GO:0005975 carbohydrate metabolic process
GO:0006098 pentose-phosphate shunt
Cellular Component
GO:0005737 cytoplasm

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:4xz9, PDBe:4xz9, PDBj:4xz9
PDBsum4xz9
PubMed26131847
UniProtQ9HKI3|TAL_THEAC Probable transaldolase (Gene Name=tal)

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