Structure of PDB 3la3 Chain B Binding Site BS01

Receptor Information

>3la3 Chain B (length=197) Species: 103690 (Nostoc sp. PCC 7120 = FACHB-418)

VETFERNKTIFFPGDPAERVYFLLKGAVKLSRVYEAGEEITVALLRENSV
FGVLSLLTGNKSDRFYHAVAFTPVELLSAPIEQVEQALKENPELSMLMLR
GLSSRILQTEMMIETLAHRDMGSRLVSFLLILCRDFGVPCADGITIDLKL
SHQAIAEAIGSTRVTVTRLLGDLREKKMISIHKKKITVHKPVTLSRQ

Ligand information

• Ligand ID: 2FT
• InChI: InChI=1S/C5H6F2O4/c6-5(7,4(10)11)2-1-3(8)9/h1-2H2,(H,8,9)(H,10,11)
• InChIKey: PIVAHSCRTJPWJU-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.352: OC(=O)CCC(F)(F)C(O)=O
  OpenEye OEToolkits 1.7.0: C(CC(C(=O)O)(F)F)C(=O)O
• Formula: C5 H6 F2 O4
• Name: 2,2-difluoropentanedioic acid
• ZINC: ZINC000017550753
• PDB chain: 3la3 Chain B Residue 224

Receptor-Ligand Complex Structure

Structure summary

• PDB: 3la3 Structural basis for the allosteric control of the global transcription factor NtcA by the nitrogen starvation signal 2-oxoglutarate.
• Resolution: 2.4 Å
• Binding residue (original residue number in PDB): F35 L54 F75 G76 V77 L78 R88 R129
• Binding residue (residue number reindexed from 1): F11 L30 F51 G52 V53 L54 R64 R105
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0003700 DNA-binding transcription factor activity

Biological Process

• GO:0006355 regulation of DNA-templated transcription

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:3la3, PDBe:3la3, PDBj:3la3
• PDBsum: 3la3
• PubMed: 20616047
• UniProt: P0A4U6|NTCA_NOSS1 Global nitrogen regulator (Gene Name=ntcA)