Structure of PDB 4xz9 Chain C Binding Site BS02

Receptor Information
>4xz9 Chain C (length=223) 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
TDEGLAKFLEDWKKVSPDGKLIL
Ligand information
Ligand IDG3P
InChIInChI=1S/C3H9O6P/c4-1-3(5)2-9-10(6,7)8/h3-5H,1-2H2,(H2,6,7,8)/t3-/m1/s1
InChIKeyAWUCVROLDVIAJX-GSVOUGTGSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.6C(C(COP(=O)(O)O)O)O
CACTVS 3.385OC[C@@H](O)CO[P](O)(O)=O
ACDLabs 12.01O=P(OCC(O)CO)(O)O
OpenEye OEToolkits 1.7.6C([C@H](COP(=O)(O)O)O)O
CACTVS 3.385OC[CH](O)CO[P](O)(O)=O
FormulaC3 H9 O6 P
NameSN-GLYCEROL-3-PHOSPHATE
ChEMBLCHEMBL1232920
DrugBankDB02515
ZINCZINC000003830896
PDB chain4xz9 Chain C Residue 302 [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 Y132 R135 S167 R169
Binding residue
(residue number reindexed from 1)		D6 Y132 R135 S167 R169
Annotation score2
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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