Reaction Details Report a problem with these data
Target
Urease subunit alpha [F36L]/beta/gamma
Ligand
BDBM24971
Substrate
BDBM24961
Meas. Tech.
Enzyme Inhibition Assay
pH
7±n/a
Temperature
303.15±n/a K
Ki
14000±400 nM
IC50
158000±1300 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 [F36L]/beta/gamma
Synonyms:
Urea Amidohydrolase | Urea Amidohydrolase-pv | 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 [F36L]
Synonyms:
URE1_PROMH | Urea Amidohydrolase Subunit alpha | ureC
Type:
Enzyme Subunit
Mol. Mass.:
60882.75
Organism:
Proteus vulgaris
Description:
P17086[F36L]
Residue:
567
Sequence:
MKTISRQAYADMFGPTTGDRLRLADTELFLEIEKDLTTYGEEVKFGGGKVIRDGMGQSQVVSAECVDVLITNAIILDYWGIVKADIGIKDGRIVGIGKAGNPDVQPNVDIVIGPGTEVVAGEGKIVTAGGIDTHIHFICPQQAQEGLVSGVTTFIGGGTGPVAGTNATTVTPGIWNMYRMLEAVDELPINVGLFGKGCVSQPEAIREQITAGAIGLKIHEDWGATPMAIHNCLNVADEMDVQVAIHSDTLNEGGFYEETVKAIAGRVIHVFHTEGAGGGHAPDVIKSVGEPNILPASTNPTMPYTINTVDEHLDMLMVCHHLDPSIPEDVAFAESRIRRETIAAEDILHDMGAISVMSSDSQAMGRVGEVILRTWQCAHKMKLQRGTLAGDSADNDNNRIKRYIAKYTINPALAHGIAHTVGSIEKGKLADIVLWDPAFFGVKPALIIKGGMVAYAPMGDINAAIPTPQPVHYRPMYACLGKAKYQTSMIFMSKAGIEAGVPEKLGLKSLIGRVEGCRHITKASMIHNNYVPHIELDPQTYIVKADGVPLVCEPATELPMAQRYFLF
  
Component 2
Name:
Urease subunit beta
Synonyms:
UreB | Urea Amidohydrolase Subunit beta
Type:
Enzyme Subunit
Mol. Mass.:
12029.52
Organism:
Proteus vulgaris
Description:
n/a
Residue:
108
Sequence:
MIPGEISVNQALGDIELNAGRETKIIQVANHGDRPVQVGSHYHFYEVNEALNFERESTLGFRLNIPAGMAVRFEPGQSRTVELVAFAGKREIYGFHGKVMGKLESEKK
  
Component 3
Name:
Urease subunit gamma
Synonyms:
UreA | Urea Amidohydrolase Subunit gamma
Type:
n/a
Mol. Mass.:
10908.21
Organism:
Proteus vulgaris
Description:
n/a
Residue:
100
Sequence:
MELTPREKDKLLLFTAGLVAERRLAKGLKLNYPEAVALISCAIMEGAREGKTVAQLMSEGRSVLAAEQVMEGVPEMIKDIQVECTFPDGTKLVSIHDPIV
  
Inhibitor
Name:
BDBM24971
Synonyms:
({[(benzyloxy)carbonyl]amino}methyl)(methyl)sulfanylidenephosphinous acid | thiophosphinic acid derivative, 25
Type:
Small organic molecule
Emp. Form.:
C10H14NO3PS
Mol. Mass.:
259.262
SMILES:
CP(O)(=S)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: