Structure of PDB 5qrx Chain A Binding Site BS01

Receptor Information
>5qrx 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 IDNZG
InChIInChI=1S/C9H8FNO3/c1-5(12)11-8-4-6(9(13)14)2-3-7(8)10/h2-4H,1H3,(H,11,12)(H,13,14)
InChIKeyVOLGFCKUDWAJQS-UHFFFAOYSA-N
SMILES
SoftwareSMILES
OpenEye OEToolkits 2.0.6CC(=O)Nc1cc(ccc1F)C(=O)O
ACDLabs 12.01N(C(C)=O)c1cc(C(O)=O)ccc1F
CACTVS 3.385CC(=O)Nc1cc(ccc1F)C(O)=O
FormulaC9 H8 F N O3
Name3-(acetylamino)-4-fluorobenzoic acid
ChEMBL
DrugBank
ZINCZINC000037500399
PDB chain5qrx 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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PDB5qrx PanDDA analysis group deposition
Resolution1.87 Å
Binding residue
(original residue number in PDB)		S89 I125 S129 V175 R180
Binding residue
(residue number reindexed from 1)		S49 I85 S89 V135 R140
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:5qrx, PDBe:5qrx, PDBj:5qrx
PDBsum5qrx
PubMed
UniProtO15178|TBXT_HUMAN T-box transcription factor T (Gene Name=TBXT)

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