Structure of PDB 1wap Chain I Binding Site BS01

Receptor Information
>1wap Chain I (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 I 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 Q47 T49 T52
Binding residue
(residue number reindexed from 1)		G16 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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