Structure of PDB 7fhr Chain A Binding Site BS03

Receptor Information

>7fhr Chain A (length=437) Species: 266264 (Cupriavidus metallidurans CH34)

HMLSREDNELLVRVGPGTAMGTMMRLYWIPFLKSSEVTAGGQPYRVRLLG
EDLVAFRDNSGNVGLVDHTCPHRGAPMVFGRNENDGLRCVYHGWKFKVSG
QCEEMPCEPADSPMCKRMKIKAYPVKERNGILWAYMGPDAENAPELPDVE
WNMVPEEQVAISMRVQECNWLQALEGELDSAHAAILHGRVGEINQWRQAQ
DLSPTFECVQHDAGISIGARRKTPDGENYVRVNQFLMPFWTLVPPQSQFP
ELSGHAWVPIDDEHTLCLMFSYHPAKPFYERTRKLFKEGHNGRETGHHSD
NAFEKRPVTEPYHTYWSKFNRGNAYQFDYQSQVEKYNSGMPGLWIQDAAC
QSGTTPILDRSKEHLGTSDTGVARMRRVLLEAVKKLVATGEHPVSSNAPA
AFRWRAVSLTIPLGGDWTKLGEEAMRAEPGKDFGYTP

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: 7fhr Chain A Residue 507

Receptor-Ligand Complex Structure

Structure summary

• PDB: 7fhr Molecular insights into substrate recognition and catalysis by phthalate dioxygenase from Comamonas testosteroni.
• Resolution: 1.84 Å
• Binding residue (original residue number in PDB): H181 H186 D349
• Binding residue (residue number reindexed from 1): H182 H187 D347
• Annotation score: 1

Enzymatic activity

• Enzyme Commision number: 1.14.12.7: phthalate 4,5-dioxygenase.

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0016491 oxidoreductase activity
• GO:0018620 phthalate 4,5-dioxygenase activity
• GO:0046872 metal ion binding
• GO:0051537 2 iron, 2 sulfur cluster binding

Biological Process

• GO:0009056 catabolic process

External links

• PDB: RCSB:7fhr, PDBe:7fhr, PDBj:7fhr
• PDBsum: 7fhr
• PubMed: 34800435
• UniProt: Q1LBR9