Structure of PDB 2vbz Chain A Binding Site BS01

Receptor Information
>2vbz 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 IDTRP
InChIInChI=1S/C11H12N2O2/c12-9(11(14)15)5-7-6-13-10-4-2-1-3-8(7)10/h1-4,6,9,13H,5,12H2,(H,14,15)/t9-/m0/s1
InChIKeyQIVBCDIJIAJPQS-VIFPVBQESA-N
SMILES
SoftwareSMILES
ACDLabs 10.04O=C(O)C(N)Cc2c1ccccc1nc2
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)C[C@@H](C(=O)O)N
OpenEye OEToolkits 1.5.0c1ccc2c(c1)c(c[nH]2)CC(C(=O)O)N
CACTVS 3.341N[CH](Cc1c[nH]c2ccccc12)C(O)=O
CACTVS 3.341N[C@@H](Cc1c[nH]c2ccccc12)C(O)=O
FormulaC11 H12 N2 O2
NameTRYPTOPHAN
ChEMBLCHEMBL54976
DrugBankDB00150
ZINCZINC000000083315
PDB chain2vbz Chain A Residue 1151 [Download ligand structure] [Download structure with residue number starting from 1] [View ligand structure]
Receptor-Ligand Complex Structure
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PDB2vbz 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 E104 S105
Binding residue
(residue number reindexed from 1)		D79 V97 A98 G99 E101 S102
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:2vbz, PDBe:2vbz, PDBj:2vbz
PDBsum2vbz
PubMed17962306
UniProtP96896

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