Structure of PDB 4ghg Chain B Binding Site BS01

Receptor Information

>4ghg Chain B (length=360) Species: 47914 (Brevibacterium fuscum)

NEIPKPVAPAPDILRCAYAELVVTDLAKSRNFYVDVLGLHVSYEDENQIY
LRSFEEFIHHNLVLTKGPVAALKAMAFRVRTPEDVDKAEAYYQELGCRTE
RRKDGFVKGIGDALRVEDPLGFPYEFFFETTHVERLHMRYDLYSAGELVR
LDHFNQVTPDVPRGRKYLEDLGFRVTEDIQDDEGTTYAAWMHRKGTVHDT
ALTGGNGPRLHHVAFSTHEKHNIIQICDKMGALRISDRIERGPGRHGVSN
AFYLYILDPDNHRIEIYTQDYYTGDPDNPTITWNVHDNQRRDWWGNPVVP
SWYTEASKVLDLDGNVQEIIERTDDSELEVTIGADGFSFTRAGDEDGSYH
GQASKGFKLG

Ligand information

• Ligand ID: FE2
• InChI: InChI=1S/Fe/q+2
• InChIKey: CWYNVVGOOAEACU-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Fe+2]
  CACTVS 3.341: [Fe++]
• Formula: Fe
• Name: FE (II) ION
• DrugBank: DB14510
• PDB chain: 4ghg Chain B Residue 401

Receptor-Ligand Complex Structure

Structure summary

• PDB: 4ghg Structural basis for the role of tyrosine 257 of homoprotocatechuate 2,3-dioxygenase in substrate and oxygen activation.
• Resolution: 1.5 Å
• Binding residue (original residue number in PDB): H155 H214 E267
• Binding residue (residue number reindexed from 1): H153 H212 E265
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H155 H200 H214 H248 Y257 E267
• Catalytic site (residue number reindexed from 1): H153 H198 H212 H246 Y255 E265
• Enzyme Commision number: 1.13.11.15: 3,4-dihydroxyphenylacetate 2,3-dioxygenase.

Gene Ontology

Molecular Function

• GO:0046872 metal ion binding
• GO:0051213 dioxygenase activity

External links

• PDB: RCSB:4ghg, PDBe:4ghg, PDBj:4ghg
• PDBsum: 4ghg
• PubMed: 23066739
• UniProt: Q45135