Structure of PDB 8in2 Chain B Binding Site BS01

Receptor Information

>8in2 Chain B (length=263) Species: 161934 (Beta vulgaris)

NIKETFFISHGTPMMAIDDSKPSKKFLESWREKIFSKKPKAILVISAHWE
TDQPSVNVVDINDTIYDFRGFPARLYQFKYSAPGSPELANRIQDLLAGSG
FKSVNTDKKRGLDHGAWVPLMLMYPEADIPVCQLSVQSHLDGTHHYKLGQ
ALAPLKDEGVLIIGSGSATHPSNGTPPCSDGVAPWAAAFDSWLETALTNG
SYEEVNKYETKAPNWKLAHPWPEHFYPLHVAMGAAGENSKAELIHNSWDG
GIMSYGSYKFTST

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: 8in2 Chain B Residue 301

Receptor-Ligand Complex Structure

Structure summary

• PDB: 8in2 Crystal structure of the 4,5-DOPA-extradiol-dioxygenase from Beta vulgaris
• Resolution: 3.08 Å
• Binding residue (original residue number in PDB): H15 H53 H229
• Binding residue (residue number reindexed from 1): H10 H48 H224
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.13.11.29: stizolobate synthase.

Gene Ontology

Molecular Function

• GO:0008198 ferrous iron binding
• GO:0008270 zinc ion binding
• GO:0016491 oxidoreductase activity
• GO:0016701 oxidoreductase activity, acting on single donors with incorporation of molecular oxygen
• GO:0046872 metal ion binding
• GO:0050297 stizolobate synthase activity
• GO:0051213 dioxygenase activity

Biological Process

• GO:0046148 pigment biosynthetic process

Cellular Component

• GO:0005737 cytoplasm

External links

• PDB: RCSB:8in2, PDBe:8in2, PDBj:8in2
• PDBsum: 8in2
• UniProt: Q70FG7|DODA_BETVU 4,5-DOPA dioxygenase extradiol (Gene Name=DODA)