Structure of PDB 4gul Chain A Binding Site BS01

Receptor Information

>4gul Chain A (length=288) Species: 9606 (Homo sapiens)

SSKKVTLSVLSREQSEGVGARVRRSIGRPELKNLDPFLLFDEFKGGRPGG
FPDHPHRGFETVSYLLEGGSMAHEDFCGHTGKMNPGDLQWMTAGRGILHA
EMPCSEEPAHGLQLWVNLRSSEKMVEPQYQELKSEEIPKPSKDGVTVAVI
SGEALGIKSKVYTRTPTLYLDFKLDPGAKHSQPIPKGWTSFIYTISGDVY
IGPDDAQQKIEPHHTAVLGEGDSVQVENKDPKRSHFVLIAGEPLREPVIQ
HGPFVMNTNEEISQAILDFRNAKNGFERAKTWKSKIGN

Ligand information

• Ligand ID: FE
• InChI: InChI=1S/Fe/q+3
• InChIKey: VTLYFUHAOXGGBS-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  CACTVS 3.341
  OpenEye OEToolkits 1.5.0: [Fe+3]
• Formula: Fe
• Name: FE (III) ION
• DrugBank: DB13949
• PDB chain: 4gul Chain A Residue 1001

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4gul Pirin is an iron-dependent redox regulator of NF-kappa B.
• Resolution: 1.8 Å
• Binding residue (original residue number in PDB): H56 H58 H101 E103
• Binding residue (residue number reindexed from 1): H54 H56 H99 E101
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.13.11.24: quercetin 2,3-dioxygenase.

Gene Ontology

Molecular Function

• GO:0003712 transcription coregulator activity
• GO:0005515 protein binding
• GO:0008127 quercetin 2,3-dioxygenase activity
• GO:0046872 metal ion binding
• GO:0051213 dioxygenase activity

Biological Process

• GO:0006366 transcription by RNA polymerase II
• GO:0007586 digestion
• GO:0030099 myeloid cell differentiation
• GO:0030224 monocyte differentiation

Cellular Component

• GO:0005634 nucleus
• GO:0005654 nucleoplasm
• GO:0005737 cytoplasm
• GO:0005829 cytosol
• GO:0016604 nuclear body

External links

• PDB: RCSB:4gul, PDBe:4gul, PDBj:4gul
• PDBsum: 4gul
• PubMed: 23716661
• UniProt: O00625|PIR_HUMAN Pirin (Gene Name=PIR)