Structure of PDB 8eju Chain A Binding Site BS01

Receptor Information

>8eju Chain A (length=254) Species: 160488 (Pseudomonas putida KT2440)

ASPAKRIQAFTGDPDFMTSLARGLAVIQAFQERKRHLTIAQISHRTEIPR
AAVRRCLHTLIKLGYATTDGRTYSLLPKVLTLGHAYLSSTPLAISAQPYL
DRISDQLHEAANMATLEGDDILYIARSALSVGGRLPAYCTSMGRILLAAM
DDTSLREYLERADLKARTSRTLNDPESLFACIQQVRAQGWCVVDQELEQG
LRSIAVPVYDASGQVLAALNVSTHVGRVTRSELEQRFLPILLAASRDLCH
QLFG

Ligand information

• Ligand ID: SEY
• InChI: InChI=1S/CH4N2Se/c2-1(3)4/h(H4,2,3,4)
• InChIKey: IYKVLICPFCEZOF-UHFFFAOYSA-N
• SMILES:
  CACTVS 3.370: NC(N)=[Se]
  OpenEye OEToolkits 1.7.6: C(=[Se])(N)N
  ACDLabs 12.01: [Se]=C(N)N
• Formula: C H4 N2 Se
• Name: selenourea
• ChEMBL: CHEMBL3187603
• PDB chain: 8eju Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8eju The crystal structure of Pseudomonas putida PcaR
• Resolution: 1.74 Å
• Binding residue (original residue number in PDB): A186 Q251
• Binding residue (residue number reindexed from 1): A149 Q214
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0000976 transcription cis-regulatory region binding
• GO:0001217 DNA-binding transcription repressor activity
• GO:0003677 DNA binding
• GO:0003700 DNA-binding transcription factor activity
• GO:0043565 sequence-specific DNA binding

Biological Process

• GO:0006355 regulation of DNA-templated transcription
• GO:0045892 negative regulation of DNA-templated transcription
• GO:0045893 positive regulation of DNA-templated transcription
• GO:0046278 3,4-dihydroxybenzoate metabolic process

Cellular Component

• GO:0032993 protein-DNA complex

External links

• PDB: RCSB:8eju, PDBe:8eju, PDBj:8eju
• PDBsum: 8eju
• UniProt: Q88N41