Structure of PDB 8eh0 Chain B Binding Site BS02

Receptor Information
>8eh0 Chain B (length=386) Species: 2336 (Thermotoga maritima) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
KGNFGPYGGQNVPEILMGALEELEAAYEGIMKDESFWKEYNDLLRDYAGR
PTPLYFARRLSEKYGARVYLKREDLLHTGAHKINNAIGQVLLAKLMGKTR
ITAGTGAGQHGVATATAAALFGMECVIYMGEEDTIRQKLNVERMKLLGAK
VVPVKSGSRTLKDAIDEALRDWITNLQTTYYVPGSVVGPHPYPIIVRNFQ
KVIGEETKKQIPEKEGRLPDYIVACVSGGSNAAGIFYPFIDSGVKLIGVE
AGGEGLETGKHAASLLKGKIGYLHGSKTFVLQDDWGQVQASHSVSAGLDY
PGVGPEHAYWRETGKVLYDAVTDEEALDAFIELSRLEGIIPALESSHALA
YLKKINIKGKVVVVNLSGRGDKDLESVLNHPYVRER
Ligand information
Ligand IDQOX
InChIInChI=1S/C9H7NO/c11-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H
InChIKeyGIIWGCBLYNDKBO-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385[O-][n+]1cccc2ccccc12
ACDLabs 12.01[O-][n+]1cccc2ccccc21
OpenEye OEToolkits 2.0.7c1ccc2c(c1)ccc[n+]2[O-]
FormulaC9 H7 N O
Name1-oxo-1lambda~5~-quinoline
ChEMBLCHEMBL189783
DrugBank
ZINCZINC000000157019
PDB chain8eh0 Chain B Residue 402 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB8eh0 Towards automated crystallographic structure refinement with phenix.refine.
Resolution1.7 Å
Binding residue
(original residue number in PDB)		L162 I166 Y182 G185 S186 Y301
Binding residue
(residue number reindexed from 1)		L161 I165 Y181 G184 S185 Y300
Annotation score1
Enzymatic activity
Enzyme Commision number 4.2.1.20: tryptophan synthase.
Gene Ontology
Molecular Function
GO:0004834 tryptophan synthase activity
GO:0016829 lyase activity
Biological Process
GO:0000162 tryptophan biosynthetic process
GO:0006568 tryptophan metabolic process
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:8eh0, PDBe:8eh0, PDBj:8eh0
PDBsum8eh0
PubMed38744987
UniProtP50909|TRPB1_THEMA Tryptophan synthase beta chain 1 (Gene Name=trpB1)

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