Structure of PDB 2vc0 Chain A Binding Site BS01

Receptor Information

>2vc0 Chain A (length=147) Species: 83332 (Mycobacterium tuberculosis H37Rv)

ALDDIDRILVRELAADGRATLSELATRAGLSVSAVQSRVRRLESRGVVQG
YSARINPEAVGHLLSAFVAITPLDPSQPDDAPARLEHIEEVESCYSVAGE
ESYVLLVRVASARALEDLLQRIRTTANVRTRSTIILNTFYSDRQHIP

Ligand information

• Ligand ID: LEU
• InChI: InChI=1S/C6H13NO2/c1-4(2)3-5(7)6(8)9/h4-5H,3,7H2,1-2H3,(H,8,9)/t5-/m0/s1
• InChIKey: ROHFNLRQFUQHCH-YFKPBYRVSA-N
• SMILES:
  OpenEye OEToolkits 1.5.0: CC(C)C[C@@H](C(=O)O)N
  CACTVS 3.341: CC(C)C[C@H](N)C(O)=O
  OpenEye OEToolkits 1.5.0: CC(C)CC(C(=O)O)N
  ACDLabs 10.04: O=C(O)C(N)CC(C)C
  CACTVS 3.341: CC(C)C[CH](N)C(O)=O
• Formula: C6 H13 N O2
• Name: LEUCINE
• ChEMBL: CHEMBL291962
• DrugBank: DB00149
• ZINC: ZINC000003645145
• PDB chain: 2vc0 Chain A Residue 1151

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2vc0 Mechanistic insights from the crystal structures of a feast/famine regulatory protein from Mycobacterium tuberculosis H37Rv.
• Resolution: 2.5 Å
• Binding residue (original residue number in PDB): A101 G102 E104 S105
• Binding residue (residue number reindexed from 1): A98 G99 E101 S102
• Annotation score: 4

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

External links

• PDB: RCSB:2vc0, PDBe:2vc0, PDBj:2vc0
• PDBsum: 2vc0
• PubMed: 17962306
• UniProt: P96896