Structure of PDB 5qse Chain A Binding Site BS01

Receptor Information

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

ELRVGLEESELWLRFKELTNEMIVTKNGRRMFPVLKVNVSGLDPNAMYSF
LLDFVAADNHRWKYVNGEWVPGGKPEPQAPSCVYIHPDSPNFGAHWMKAP
VSFSKVKLTNKLNGGGQIMLNSLHKYEPRIHIVRVGDPQRMITSHCFPET
QFIAVTAYQNEEITALKIKYN

Ligand information

• Ligand ID: O0V
• InChI: InChI=1S/C9H13FN2O/c1-7(6-13)12(2)9-8(10)4-3-5-11-9/h3-5,7,13H,6H2,1-2H3/t7-/m0/s1
• InChIKey: FOQPKOCSXTYZBW-ZETCQYMHSA-N
• SMILES:
  OpenEye OEToolkits 2.0.6: CC(CO)N(C)c1c(cccn1)F
  ACDLabs 12.01: n1c(N(C(C)CO)C)c(ccc1)F
  OpenEye OEToolkits 2.0.6: C[C@@H](CO)N(C)c1c(cccn1)F
  CACTVS 3.385: C[CH](CO)N(C)c1ncccc1F
  CACTVS 3.385: C[C@@H](CO)N(C)c1ncccc1F
• Formula: C9 H13 F N2 O
• Name: (2S)-2-[(3-fluoropyridin-2-yl)(methyl)amino]propan-1-ol
• ZINC: ZINC000159000310
• PDB chain: 5qse Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 5qse PanDDA analysis group deposition
• Resolution: 2.01 Å
• Binding residue (original residue number in PDB): E50 Y210
• Binding residue (residue number reindexed from 1): E10 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:5qse, PDBe:5qse, PDBj:5qse
• PDBsum: 5qse
• UniProt: O15178|TBXT_HUMAN T-box transcription factor T (Gene Name=TBXT)