Structure of PDB 5tk3 Chain A Binding Site BS01

Receptor Information
>5tk3 Chain A (length=349) Species: 5811 (Toxoplasma gondii) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
SGYGLPISQEVAKELAENARKIAAPGKGILAADESTGTIKKRFDSIGVEN
TEANRAFYRDLLFSTKGLGQYISGAILFEETLYQKSPSGVPMVDLLKAEG
IIPGIKVDKGLETLPLTDDEKATMGLDGLSERCKKYYEAGARFAKWRAVL
SIDPAKGKPTNLSITEVAHGLARYAAICQANRLVPIVEPEILTDGSHDIT
VCAEVTERVLAAVFKALNDHHVLLEGALLKPNMVTHGSDCPKPASHEEIA
FYTVRSLKRTVPPALPGVMFLSGGQSEEDASLNLNEMNKMGPHPFQLSFS
YGRALQASCLKAWKGVPENKAKAQQVLMERARANGEAQLGKYGGGAYVY
Ligand information
Ligand IDG3H
InChIInChI=1S/C3H7O6P/c4-1-3(5)2-9-10(6,7)8/h1,3,5H,2H2,(H2,6,7,8)/t3-/m0/s1
InChIKeyLXJXRIRHZLFYRP-VKHMYHEASA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C([C@H](C=O)O)OP(=O)(O)O
OpenEye OEToolkits 1.7.0C(C(C=O)O)OP(=O)(O)O
CACTVS 3.370O[CH](CO[P](O)(O)=O)C=O
ACDLabs 12.01O=P(OCC(O)C=O)(O)O
CACTVS 3.370O[C@H](CO[P](O)(O)=O)C=O
FormulaC3 H7 O6 P
NameGLYCERALDEHYDE-3-PHOSPHATE
ChEMBLCHEMBL1232918
DrugBankDB02263
ZINCZINC000003869936
PDB chain5tk3 Chain A Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5tk3 Isomer activation controls stereospecificity of class I fructose-1,6-bisphosphate aldolases.
Resolution1.83 Å
Binding residue
(original residue number in PDB)		S36 K107 K146 R148 E189
Binding residue
(residue number reindexed from 1)		S35 K106 K145 R147 E188
Annotation score5
Enzymatic activity
Catalytic site (original residue number in PDB) D34 K146 E189 E191 K231 S301 Y363
Catalytic site (residue number reindexed from 1) D33 K145 E188 E190 K230 S300 Y349
Enzyme Commision number 4.1.2.13: fructose-bisphosphate aldolase.
Gene Ontology
Molecular Function
GO:0003779 actin binding
GO:0004332 fructose-bisphosphate aldolase activity
GO:0016829 lyase activity
Biological Process
GO:0006096 glycolytic process
GO:0030388 fructose 1,6-bisphosphate metabolic process
Cellular Component
GO:0005737 cytoplasm
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5tk3, PDBe:5tk3, PDBj:5tk3
PDBsum5tk3
PubMed28972169
UniProtQ8I8I2|ALF1_TOXGO Fructose-bisphosphate aldolase 1 (Gene Name=ald-1)

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