Reaction Details Report a problem with these data
Target
Urease subunit alpha/beta/gamma
Ligand
BDBM24967
Substrate
BDBM24961
Meas. Tech.
Enzyme Inhibition Assay
pH
7±n/a
Temperature
303.15±n/a K
Ki
18000±700 nM
IC50
60000±300 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:
BDBM24967
Synonyms:
methyl[(methylamino)methyl]phosphinic acid | organophosphorus derivative, 18
Type:
Small organic molecule
Emp. Form.:
C3H10NO2P
Mol. Mass.:
123.0908
SMILES:
CN=CP(C)(O)O |w:1.0|
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: