Structure of PDB 2vbw Chain A Binding Site BS01

Receptor Information
>2vbw 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 IDPHE
InChIInChI=1S/C9H11NO2/c10-8(9(11)12)6-7-4-2-1-3-5-7/h1-5,8H,6,10H2,(H,11,12)/t8-/m0/s1
InChIKeyCOLNVLDHVKWLRT-QMMMGPOBSA-N
SMILES
SoftwareSMILES
CACTVS 3.341N[CH](Cc1ccccc1)C(O)=O
CACTVS 3.341N[C@@H](Cc1ccccc1)C(O)=O
OpenEye OEToolkits 1.5.0c1ccc(cc1)CC(C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc(cc1)C[C@@H](C(=O)O)N
ACDLabs 10.04O=C(O)C(N)Cc1ccccc1
FormulaC9 H11 N O2
NamePHENYLALANINE
ChEMBLCHEMBL301523
DrugBankDB00120
ZINCZINC000000105196
PDB chain2vbw 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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PDB2vbw Mechanistic Insights from the Crystal Structures of a Feast/Famine Regulatory Protein from Mycobacterium Tuberculosis H37Rv.
Resolution2.2 Å
Binding residue
(original residue number in PDB)		V100 A101 G102 S105 Y106
Binding residue
(residue number reindexed from 1)		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:2vbw, PDBe:2vbw, PDBj:2vbw
PDBsum2vbw
PubMed17962306
UniProtP96896

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