Structure of PDB 2vby Chain A Binding Site BS01

Receptor Information
>2vby Chain A (length=147) Species: 83332 (Mycobacterium tuberculosis H37Rv) [Search protein sequence] [Download receptor structure] [Download structure with residue number starting from 1] [View receptor structure]
ALDDIDRILVRELAADGRATLSELATRAGLSVSAVQSRVRRLESRGVVQG
YSARINPEAVGHLLSAFVAITPLDPSQPDDAPARLEHIEEVESCYSVAGE
ESYVLLVRVASARALEDLLQRIRTTANVRTRSTIILNTFYSDRQHIP
Ligand information
Ligand IDTYR
InChIInChI=1S/C9H11NO3/c10-8(9(12)13)5-6-1-3-7(11)4-2-6/h1-4,8,11H,5,10H2,(H,12,13)/t8-/m0/s1
InChIKeyOUYCCCASQSFEME-QMMMGPOBSA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc1ccc(O)cc1
OpenEye OEToolkits 1.5.0c1cc(ccc1C[C@@H](C(=O)O)N)O
OpenEye OEToolkits 1.5.0c1cc(ccc1CC(C(=O)O)N)O
CACTVS 3.341N[CH](Cc1ccc(O)cc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccc(O)cc1)C(O)=O
FormulaC9 H11 N O3
NameTYROSINE
ChEMBLCHEMBL925
DrugBankDB00135
ZINCZINC000000266964
PDB chain2vby Chain A Residue 1153 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vby Mechanistic Insights from the Crystal Structures of a Feast/Famine Regulatory Protein from Mycobacterium Tuberculosis H37Rv.
Resolution2.8 Å
Binding residue
(original residue number in PDB)		D82 V100 A101 G102 S105 Y106
Binding residue
(residue number reindexed from 1)		D79 V97 A98 G99 S102 Y103
Annotation score4
Enzymatic activity
Enzyme Commision number ?
Gene Ontology
Molecular Function
GO:0003677 DNA binding
GO:0016597 amino acid binding
GO:0043565 sequence-specific DNA binding
Biological Process
GO:0043200 response to amino acid
GO:0051260 protein homooligomerization
Cellular Component
GO:0005829 cytosol

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Molecular Function
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Biological Process
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Cellular Component
External links
PDB RCSB:2vby, PDBe:2vby, PDBj:2vby
PDBsum2vby
PubMed17962306
UniProtP96896

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