Structure of PDB 1wap Chain A Binding Site BS01

Receptor Information
>1wap Chain A (length=68) Species: 1423 (Bacillus subtilis) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
DFVVIKAVEDGVNVIGLTRGTDTKFHHSEKLDKGEVIIAQFTEHTSAIKV
RGEALIQTAYGEMKSEKK
Ligand information
Ligand IDTRP
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKeyQIVBCDIJIAJPQS-VIFPVBQESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
FormulaC11 H12 N2 O2
NameTRYPTOPHAN
ChEMBLCHEMBL54976
DrugBankDB00150
ZINCZINC000000083315
PDB chain1wap Chain A Residue 81 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB1wap The structure of trp RNA-binding attenuation protein.
Resolution1.8 Å
Binding residue
(original residue number in PDB)		G23 H34 Q47 T49 T52
Binding residue
(residue number reindexed from 1)		G16 H27 Q40 T42 T45
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Biological Process
GO:0006353 DNA-templated transcription termination
GO:0006355 regulation of DNA-templated transcription
GO:0045947 negative regulation of translational initiation
GO:0060566 positive regulation of termination of DNA-templated transcription

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Molecular Function
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Biological Process
External links
PDB RCSB:1wap, PDBe:1wap, PDBj:1wap
PDBsum1wap
PubMed7715723
UniProtP19466|MTRB_BACSU Transcription attenuation protein MtrB (Gene Name=mtrB)

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