Structure of PDB 1uuw Chain A Binding Site BS02

Receptor Information

>1uuw Chain A (length=447) Species: 303 (Pseudomonas putida)

MNYNNKILVSESGLSQKHLIHGDEELFQHELKTIFARNWLFLTHDSLIPA
PGDYVTAKMGIDEVIVSRQNDGSIRAFLNVCRHRGKTLVSVEAGNAKGFV
CSYHGWGFGSNGELQSVPFEKDLYGESLNKKCLGLKEVARVESFHGFIYG
CFDQEAPPLMDYLGDAAWYLEPMFKHSGGLELVGPPGKVVIKANWKAPAE
NFVGDAYHVGWTHASSLRSGESIFSSLAGNAALPPEGAGLQMTSKYGSGM
GVLWDGYSGVHSADLVPELMAFGGAKQERLNKEIGDVRARIYRSHLNCTV
FPNNSMLTCSGVFKVWNPIDANTTEVWTYAIVEKDMPEDLKRRLADSVQR
TFGPAGFWESDDNDNMETASQNGKKYQSRDSDLLSNLGFGEDVYGDAVYP
GVVGKSAIGETSYRGFYRAYQAHVSSSNWAEFEHASSTWHTELTKTT

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: 1uuw Chain A Residue 1450

Receptor-Ligand Complex Structure

Structure summary

• PDB: 1uuw No Binding to Naphthalene Dioxygenase.
• Resolution: 2.3 Å
• Binding residue (original residue number in PDB): H208 H213 D362
• Binding residue (residue number reindexed from 1): H208 H213 D362
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): H104 D205 H208 H213 D362
• Catalytic site (residue number reindexed from 1): H104 D205 H208 H213 D362
• Enzyme Commision number: 1.14.12.12: naphthalene 1,2-dioxygenase.

Gene Ontology

Molecular Function

• GO:0005506 iron ion binding
• GO:0005515 protein binding
• GO:0018625 naphthalene 1,2-dioxygenase activity
• GO:0046872 metal ion binding
• GO:0051213 dioxygenase activity
• GO:0051537 2 iron, 2 sulfur cluster binding

Biological Process

• GO:0009056 catabolic process
• GO:0044237 cellular metabolic process

External links

• PDB: RCSB:1uuw, PDBe:1uuw, PDBj:1uuw
• PDBsum: 1uuw
• PubMed: 15942729
• UniProt: P0A110|NDOB_PSEPU Naphthalene 1,2-dioxygenase system, large oxygenase component (Gene Name=ndoB)