Structure of PDB 5qsb Chain A Binding Site BS01

Receptor Information

>5qsb Chain A (length=171) Species: 9606 (Homo sapiens)

ELRVGLEESELWLRFKELTNEMIVTKNGRRMFPVLKVNVSGLDPNAMYSF
LLDFVAADNHRWKYVNGEWVPGGKPEPQAPSCVYIHPDSPNFGAHWMKAP
VSFSKVKLTNKLNGGGQIMLNSLHKYEPRIHIVRVGDPQRMITSHCFPET
QFIAVTAYQNEEITALKIKYN

Ligand information

• Ligand ID: O0M
• InChI: InChI=1S/C15H23NO/c1-12(2)14-5-3-13(4-6-14)11-16-9-7-15(17)8-10-16/h3-6,12,15,17H,7-11H2,1-2H3
• InChIKey: CFAILTWQQPILFW-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.385: CC(C)c1ccc(CN2CCC(O)CC2)cc1
  ACDLabs 12.01: c1c(C(C)C)ccc(c1)CN2CCC(O)CC2
  OpenEye OEToolkits 2.0.6: CC(C)c1ccc(cc1)CN2CCC(CC2)O
• Formula: C15 H23 N O
• Name: 1-{[4-(propan-2-yl)phenyl]methyl}piperidin-4-ol
• ZINC: ZINC000000239622
• PDB chain: 5qsb Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5qsb PanDDA analysis group deposition
• Resolution: 1.82 Å
• Binding residue (original residue number in PDB): E48 L51 F72 Y210
• Binding residue (residue number reindexed from 1): E8 L11 F32 Y170
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0000978 RNA polymerase II cis-regulatory region sequence-specific DNA binding
• GO:0003700 DNA-binding transcription factor activity

Biological Process

• GO:0006355 regulation of DNA-templated transcription
• GO:0045893 positive regulation of DNA-templated transcription

Cellular Component

• GO:0005634 nucleus

External links

• PDB: RCSB:5qsb, PDBe:5qsb, PDBj:5qsb
• PDBsum: 5qsb
• UniProt: O15178|TBXT_HUMAN T-box transcription factor T (Gene Name=TBXT)