Structure of PDB 8k3b Chain A Binding Site BS01

Receptor Information

>8k3b Chain A (length=281) Species: 287 (Pseudomonas aeruginosa)

MNLLQHIAQSRQQLRKSELKVADHVLNDPASVMHSSMAELAHGVGVSEPT
IVRFCRAIGCSGFQDLKLKLAQSLAAGASFGQFSIHESDSVADFSLKIFD
TTLHSLMEVREHLDTHALERAIAAIAHAQRVEFYGFGASGAVASDAQHKF
FRLLLSAAAYSDPHMQAMSAVTLKPSDVAICISQSGRSKDLLITANLVRE
AGATLITLCPSQTPLADLATVNLAIDVHEDTDIYTPLTSRIAHLVVIDVL
AMGVAMARGPDLVNHLKSVKRSLRSLRLSPK

Ligand information

• Ligand ID: ELE
• InChI: InChI=1S/C6H11O9P/c7-3(1-4(8)6(10)11)5(9)2-15-16(12,13)14/h3,5,7,9H,1-2H2,(H,10,11)(H2,12,13,14)/t3-,5+/m0/s1
• InChIKey: OVPRPPOVAXRCED-WVZVXSGGSA-N
• SMILES:
  CACTVS 3.385: O[C@H](CO[P](O)(O)=O)[C@@H](O)CC(=O)C(O)=O
  OpenEye OEToolkits 2.0.6: C([C@@H]([C@@H](COP(=O)(O)O)O)O)C(=O)C(=O)O
  OpenEye OEToolkits 2.0.6: C(C(C(COP(=O)(O)O)O)O)C(=O)C(=O)O
  CACTVS 3.385: O[CH](CO[P](O)(O)=O)[CH](O)CC(=O)C(O)=O
• Formula: C6 H11 O9 P
• Name: 2-keto 3 deoxy 6 phospho gluconate
• ChEMBL: CHEMBL1162150
• PDB chain: 8k3b Chain A Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8k3b A KDPG sensor RccR governs Pseudomonas aeruginosa carbon metabolism and aminoglycoside antibiotic tolerance
• Resolution: 1.9 Å
• Binding residue (original residue number in PDB): F136 A138 S139 S183 Q184 S185 S188 P236
• Binding residue (residue number reindexed from 1): F136 A138 S139 S183 Q184 S185 S188 P236
• Annotation score: 1

Gene Ontology

Molecular Function

• GO:0003677 DNA binding
• GO:0003700 DNA-binding transcription factor activity
• GO:0097367 carbohydrate derivative binding

Biological Process

• GO:0006355 regulation of DNA-templated transcription
• GO:1901135 carbohydrate derivative metabolic process

External links

• PDB: RCSB:8k3b, PDBe:8k3b, PDBj:8k3b
• PDBsum: 8k3b
• UniProt: A0A071KWR3