Structure of PDB 5qrw Chain A Binding Site BS01

Receptor Information
>5qrw Chain A (length=171) Species: 9606 (Homo sapiens) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ELRVGLEESELWLRFKELTNEMIVTKNGRRMFPVLKVNVSGLDPNAMYSF
LLDFVAADNHRWKYVNGEWVPGGKPEPQAPSCVYIHPDSPNFGAHWMKAP
VSFSKVKLTNKLNGGGQIMLNSLHKYEPRIHIVRVGGPQRMITSHCFPET
QFIAVTAYQNEEITALKIKYN
Ligand information
Ligand IDNYV
InChIInChI=1S/C6H11N3O2S/c1-5(2)9-3-6(8-4-9)12(7,10)11/h3-5H,1-2H3,(H2,7,10,11)
InChIKeyDEJLCHRMKBBNPV-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385CC(C)n1cnc(c1)[S](N)(=O)=O
OpenEye OEToolkits 2.0.6CC(C)n1cc(nc1)S(=O)(=O)N
ACDLabs 12.01n1(cnc(S(N)(=O)=O)c1)C(C)C
FormulaC6 H11 N3 O2 S
Name1-(propan-2-yl)-1H-imidazole-4-sulfonamide
ChEMBL
DrugBank
ZINCZINC000083255308
PDB chain5qrw Chain A Residue 305 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5qrw PanDDA analysis group deposition
Resolution1.74 Å
Binding residue
(original residue number in PDB)		A119 P120 C122 M159 N161
Binding residue
(residue number reindexed from 1)		A79 P80 C82 M119 N121
Annotation score1
Enzymatic activity
Enzyme Commision number ?
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

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:5qrw, PDBe:5qrw, PDBj:5qrw
PDBsum5qrw
PubMed
UniProtO15178|TBXT_HUMAN T-box transcription factor T (Gene Name=TBXT)

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