Structure of PDB 2c16 Chain B Binding Site BS01

Receptor Information

>2c16 Chain B (length=326) Species: 287 (Pseudomonas aeruginosa)

FTPANRAYPYTRLRRNRRDDFSRRLVRENVLTVDDLILPVFVLDGVNQRE
SIPSMPGVERLSIDQLLIEAEEWVALGIPALALFPVTPVEKKSLDAAEAY
NPEGIAQRATRALRERFPELGIITDVALDPFTTHGQDGILDDDGYVLNDV
SIDVLVRQALSHAEAGAQVVAPSDMMDGRIGAIREALESAGHTNVRVMAY
SAKYASAYYGPFRDAVGSNKATYQMDPANSDEALHEVAADLAEGADMVMV
KPGMPYLDIVRRVKDEFRAPTFVYQVSGEYAMHMGAIQNGWLAESVILES
LTAFKRAGADGILTYFAKQAAEQLRR

Ligand information

• Ligand ID: MG
• InChI: InChI=1S/Mg/q+2
• InChIKey: JLVVSXFLKOJNIY-UHFFFAOYSA-N
• SMILES:
  ACDLabs 10.04
  OpenEye OEToolkits 1.5.0: [Mg+2]
  CACTVS 3.341: [Mg++]
• Formula: Mg
• Name: MAGNESIUM ION
• DrugBank: DB01378
• PDB chain: 2c16 Chain A Residue 1336

Receptor-Ligand Complex Structure

Structure summary

• PDB: 2c16 Probing the Active Site of Pseudomonas Aeruginosa Porphobilinogen Synthase Using Newly Developed Inhibitors.
• Resolution: 2.02 Å
• Binding residue (original residue number in PDB): Q332 R335
• Binding residue (residue number reindexed from 1): Q323 R326
• Annotation score: 1

Enzymatic activity

• Catalytic site (original residue number in PDB): K205 K260
• Catalytic site (residue number reindexed from 1): K203 K251
• Enzyme Commision number: 4.2.1.24: porphobilinogen synthase.

Gene Ontology

Molecular Function

• GO:0004655 porphobilinogen synthase activity
• GO:0008270 zinc ion binding
• GO:0016829 lyase activity
• GO:0046872 metal ion binding

Biological Process

• GO:0006779 porphyrin-containing compound biosynthetic process
• GO:0006782 protoporphyrinogen IX biosynthetic process
• GO:0006783 heme biosynthetic process
• GO:0033014 tetrapyrrole biosynthetic process

Cellular Component

• GO:0005829 cytosol

External links

• PDB: RCSB:2c16, PDBe:2c16, PDBj:2c16
• PDBsum: 2c16
• PubMed: 16819823
• UniProt: Q59643|HEM2_PSEAE Delta-aminolevulinic acid dehydratase (Gene Name=hemB)