Structure of PDB 3s1u Chain E Binding Site BS01

Receptor Information
>3s1u Chain E (length=218) Species: 273075 (Thermoplasma acidophilum DSM 1728) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MKIFLDTANIDEIRTGVNWGIVDGVTTNPTLISKEAVNGKKYGDIIREIL
KIVDGPVSVEVVSTKYEGMVEEARKIHGLGDNAVVKIPMTEDGLRAIKTL
SSEHINTNCTLVFNPIQALLAAKAGVTYVSPFVGRLDDIGEDGMQIIDMI
RTIFNNYIIKTQILVASIRNPIHVLRSAVIGADVVTVPFNVLKSLMKHPK
TDEGLAKFLEDWKKVSPD
Ligand information
Ligand IDE4P
InChIInChI=1S/C4H9O7P/c5-1-3(6)4(7)2-11-12(8,9)10/h1,3-4,6-7H,2H2,(H2,8,9,10)/t3-,4+/m0/s1
InChIKeyNGHMDNPXVRFFGS-IUYQGCFVSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.5.0C(C(C(C=O)O)O)OP(=O)(O)O
CACTVS 3.341O[CH](CO[P](O)(O)=O)[CH](O)C=O
OpenEye OEToolkits 1.5.0C([C@H]([C@H](C=O)O)O)OP(=O)(O)O
ACDLabs 10.04O=P(O)(O)OCC(O)C(O)C=O
CACTVS 3.341O[C@H](CO[P](O)(O)=O)[C@@H](O)C=O
FormulaC4 H9 O7 P
NameERYTHOSE-4-PHOSPHATE
ChEMBLCHEMBL1232448
DrugBankDB03937
ZINCZINC000032786787
PDB chain3s1u Chain E Residue 224 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB3s1u Twisted Schiff base intermediates and substrate locale revise transaldolase mechanism.
Resolution1.9 Å
Binding residue
(original residue number in PDB)		D6 K86 F132 R135 S167
Binding residue
(residue number reindexed from 1)		D6 K86 F132 R135 S167
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D6 E60 K86 T110 F132
Catalytic site (residue number reindexed from 1) D6 E60 K86 T110 F132
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:3s1u, PDBe:3s1u, PDBj:3s1u
PDBsum3s1u
PubMed21857661
UniProtQ9HKI3|TAL_THEAC Probable transaldolase (Gene Name=tal)

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