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Target
Urease subunit alpha/beta/gamma
Ligand
BDBM24969
Substrate
BDBM24961
Meas. Tech.
Enzyme Inhibition Assay
pH
7±n/a
Temperature
303.15±n/a K
Ki
170±20 nM
IC50
1800±100 nM
Citation
 Vassiliou, S; Grabowiecka, A; Kosikowska, P; Yiotakis, A; Kafarski, P; Berlicki, L Design, synthesis, and evaluation of novel organophosphorus inhibitors of bacterial ureases. J Med Chem 51:5736-44 (2008) [PubMed]  Article 
Target
Name:
Urease subunit alpha/beta/gamma
Synonyms:
Urea Amidohydrolase | Urease
Type:
Heterotrimer of ureA, ureB and ureC subunits. Three heterotrimers associate to form the active enzyme.
Mol. Mass.:
n/a
Description:
n/a
Components:
This complex has 3 components.
Component 1
Name:
Urease subunit alpha
Synonyms:
URE1_SPOPA | Urea Amidohydrolase Subunit alpha | Urease | ureC
Type:
Enzyme Subunit
Mol. Mass.:
61384.55
Organism:
Bacillus pasteurii
Description:
n/a
Residue:
569
Sequence:
MKINRQQYAESYGPTVGDRVRLADTDLGEVEKDYYYLGDEVNFGGGKVLREGMGENGTYTRTENVLDLLLTNALILDYTGIYKADIGVKDGYIVGIGKGGNPDIMDGVTPNMIVGTATEVIAAEGKIVTAGGIDTHVHFINPDQVDVALANGITTLFGGGTGPAEGSKATTVTPGPWNIEKMLKSTEGLPINVGILGKGHGSSIAPIMEQIDAGAAGLKIHEDWGATPASIDRSLTVADEADVQVAIHSDTLNEAGFLEDTVRAINGRVIHSFHVEGAGGGHAPDIMAMAGHPNVLPSSTNPTRPFTVNTIDEHLDMLMVCHHLKQNIPEDVAFADSRIRPETIAAEDILHDLGIISMMSTDALAMGRAGEMVLRTWQTADKMKKQRGPLAEEKNGSDNFRLKRYVSKYTINPAIAQGMAHEVGSIEEGKFADLVLWEPKFFGVKADRVIKGGIIAYAQIGDPSASIPTPQPVMGRRMYGTVGDLIHDTNITFMSKSSIQQGVPAKLGLKRRIGTVKNCRNIGKKDMKWNDVTTDIDINPETYEVKVDGEVLTCEPVKELPMAQRYFLF
  
Component 2
Name:
Urease subunit beta
Synonyms:
URE2_SPOPA | Urea Amidohydrolase Subunit beta | ureB
Type:
Enzyme Subunit
Mol. Mass.:
13952.35
Organism:
Bacillus pasteurii
Description:
n/a
Residue:
126
Sequence:
MSNNNYIVPGEYRVAEGEIEINAGREKTTIRVSNTGDRPIQVGSHIHFVEVNKELLFDRAEGIGRRLNIPSGTAARFEPGEEMEVELTELGGNREVFGISDLTNGSVDNKELILQRAKELGYKGVE
  
Component 3
Name:
Urease subunit gamma
Synonyms:
URE3_SPOPA | Urea Amidohydrolase Subunit gamma | ureA
Type:
Enzyme Subunit
Mol. Mass.:
11143.34
Organism:
Bacillus pasteurii
Description:
n/a
Residue:
100
Sequence:
MHLNPAEKEKLQIFLASELLLRRKARGLKLNYPEAVAIITSFIMEGARDGKTVAMLMEEGKHVLTRDDVMEGVPEMIDDIQAEATFPDGTKLVTVHNPIS
  
Inhibitor
Name:
BDBM24969
Synonyms:
[(2-{[(benzyloxy)carbonyl]amino}acetamido)methyl](methyl)sulfanylidenephosphinous acid | thiophosphinic acid derivative, 24
Type:
Small organic molecule
Emp. Form.:
C12H17N2O4PS
Mol. Mass.:
316.313
SMILES:
CP(O)(=S)CNC(=O)CNC(=O)OCc1ccccc1
Structure:
Search PDB for entries with ligand similarity:
Substrate
Name:
BDBM24961
Synonyms:
Urea
Type:
Small organic molecule
Emp. Form.:
CH4N2O
Mol. Mass.:
60.0553
SMILES:
NC(N)=O
Structure:
Search PDB for entries with ligand similarity: