Structure of PDB 5qrh Chain A Binding Site BS01

Receptor Information
>5qrh 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 IDJMM
InChIInChI=1S/C13H16N2O3/c16-12(10-3-4-10)14-5-7-15(8-6-14)13(17)11-2-1-9-18-11/h1-2,9-10H,3-8H2
InChIKeySMBREKYBPARCFW-UHFFFAOYSA-N
SMILES
SoftwareSMILES
CACTVS 3.385O=C(C1CC1)N2CCN(CC2)C(=O)c3occc3
ACDLabs 12.01C3N(C(=O)C1CC1)CCN(C(c2ccco2)=O)C3
OpenEye OEToolkits 2.0.6c1cc(oc1)C(=O)N2CCN(CC2)C(=O)C3CC3
FormulaC13 H16 N2 O3
Name[4-(cyclopropanecarbonyl)piperazin-1-yl](furan-2-yl)methanone
ChEMBLCHEMBL1330545
DrugBank
ZINCZINC000000970783
PDB chain5qrh Chain A Residue 306 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB5qrh PanDDA analysis group deposition
Resolution1.81 Å
Binding residue
(original residue number in PDB)		S89 I125 V175
Binding residue
(residue number reindexed from 1)		S49 I85 V135
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:5qrh, PDBe:5qrh, PDBj:5qrh
PDBsum5qrh
PubMed
UniProtO15178|TBXT_HUMAN T-box transcription factor T (Gene Name=TBXT)

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