Structure of PDB 1qaw Chain B Binding Site BS02

Receptor Information

>1qaw Chain B (length=70) Species: 1422 (Geobacillus stearothermophilus)

SDFVVIKALEDGVNVIGLTRGADTRFHHSEKLDKGEVLIAQFTEHTSAIK
VRGKAYIQTRHGVIESEGKK

Ligand information

• Ligand ID: TRP
• InChI: InChI=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
• InChIKey: QIVBCDIJIAJPQS-VIFPVBQESA-N
• SMILES:
  ACDLabs 10.04: O=C(O)C(N)Cc2c1ccccc1nc2
  OpenEye OEToolkits 1.5.0: c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
  OpenEye OEToolkits 1.5.0: c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
  CACTVS 3.341: N[CH](Cc1c[nH]c2ccccc12)C(O)=O
  CACTVS 3.341: N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
• Formula: C11 H12 N2 O2
• Name: TRYPTOPHAN
• ChEMBL: CHEMBL54976
• DrugBank: DB00150
• ZINC: ZINC000000083315
• PDB chain: 1qaw Chain B Residue 81

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1qaw Regulatory features of the trp operon and the crystal structure of the trp RNA-binding attenuation protein from Bacillus stearothermophilus.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): R26 G27 T30 S53
• Binding residue (residue number reindexed from 1): R20 G21 T24 S47
• Annotation score: 4
• Binding affinity: MOAD: Kd=7.5uM
  PDBbind-CN: -logKd/Ki=5.12,Kd=7.5uM

Gene Ontology

Molecular Function

• GO:0003723 RNA binding
• GO:0005515 protein binding
• GO:0042802 identical protein binding

Biological Process

• GO:0006353 DNA-templated transcription termination
• GO:0006355 regulation of DNA-templated transcription

External links

• PDB: RCSB:1qaw, PDBe:1qaw, PDBj:1qaw
• PDBsum: 1qaw
• PubMed: 10369778
• UniProt: Q9X6J6|MTRB_GEOSE Transcription attenuation protein MtrB (Gene Name=mtrB)