Structure of PDB 1xc4 Chain B Binding Site BS02

Receptor Information
>1xc4 Chain B (length=240) Species: 562 (Escherichia coli) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
MERYESLFAQLKERKEGAFVPFVTLGDPGIEQSLKIIDTLIEAGADALEL
GIPFVTPAQCFEMLALIREKHPTIPIGLLMYANLVFNKGIDEFYARCEKV
GVDSVLVADVPVEESAPFRQAALRHNVAPIFICPPNADDDLLRQIASYGR
GYTYLLSRAGAALPLNHLVAKLKEYNAAPPLQGFGISAPDQVKAAIDAGA
AGAISGSAIVKIIEQHINEPEKMLAALKVFVQPMKAATRS
Ligand information
Ligand IDGOL
InChIInChI=1S/C3H8O3/c4-1-3(6)2-5/h3-6H,1-2H2
InChIKeyPEDCQBHIVMGVHV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 1.7.0C(C(CO)O)O
ACDLabs 12.01
CACTVS 3.370		OCC(O)CO
FormulaC3 H8 O3
NameGLYCEROL;
GLYCERIN;
PROPANE-1,2,3-TRIOL
ChEMBLCHEMBL692
DrugBankDB09462
ZINCZINC000000895048
PDB chain1xc4 Chain B Residue 300 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1xc4 Structures of wild-type and P28L/Y173F tryptophan synthase alpha-subunits from Escherichia coli
Resolution2.8 Å
Binding residue
(original residue number in PDB)		Y175 F212
Binding residue
(residue number reindexed from 1)		Y154 F184
Annotation score1
Enzymatic activity
Catalytic site (original residue number in PDB) E49 Y175
Catalytic site (residue number reindexed from 1) E49 Y154
Enzyme Commision number 4.2.1.20: tryptophan synthase.
Gene Ontology
Molecular Function
GO:0004834 tryptophan synthase activity
GO:0016829 lyase activity
GO:0060090 molecular adaptor activity
Biological Process
GO:0000162 tryptophan biosynthetic process
GO:0006568 tryptophan metabolic process
GO:0009073 aromatic amino acid family biosynthetic 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:1xc4, PDBe:1xc4, PDBj:1xc4
PDBsum1xc4
PubMed15451433
UniProtP0A877|TRPA_ECOLI Tryptophan synthase alpha chain (Gene Name=trpA)

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