Reaction Details Report a problem with these data
Target
Leucine--tRNA ligase [A132I,E138V,K510E,I952T]
Ligand
BDBM163674
Substrate
n/a
Meas. Tech.
Isothermal Titration Calorimetry (ITC)
pH
8±0
Temperature
298.15±0 K
Kd
2.1e+4± 3e+3 nM
Citation
 Zhao, H; Palencia, A; Seiradake, E; Ghaemi, Z; Cusack, S; Luthey-Schulten, Z; Martinis, S Analysis of the Resistance Mechanism of a Benzoxaborole Inhibitor Reveals Insight into the Leucyl-tRNA Synthetase Editing Mechanism. ACS Chem Biol 10:2277-85 (2015) [PubMed]  Article  BDB Entry
Target
Name:
Leucine--tRNA ligase [A132I,E138V,K510E,I952T]
Synonyms:
Leucyl-tRNA synthetase K510E mutant (K510E)
Type:
Protein
Mol. Mass.:
125396.76
Organism:
Candida albicans (Ascomycetes)
Description:
A0A1D8PS12[A132I,E138V,K510E,I952T]
Residue:
1097
Sequence:
MSGPVTFEKTFRRDALIDIEKKYQKVWAEEKVFEVDAPTFEECPIEDVEQVQEAHPKFFATMAYPYMNGVLHAGHAFTLSKVEFATGFQRMNGKRALFPLGFHCTGMPIKAAADKIKREVELFGSDFSKAPIDDEDAVESQQPAKTETKREDVTKFSSKKSKAAAKQGRAKFQYEIMMQLGIPREEVAKFANTDYWLEFFPPLCQKDVTAFGARVDWRRSMITTDANPYYDAFVRWQINRLRDVGKIKFGERYTIYSEKDGQACLDHDRQSGEGVGPQEYVGIKIRLTDVAPQAQELFKKENLDVKENKVYLVAATLRPETMYGQTCCFVSPKIDYGVFDAGNGDYFITTERAFKNMSFQNLTPKRGYYKPLFIINGKTLIGSRIDAPYAVNKNLRVLPMETVLATKGTGVVTCVPSDSPDDFVTTRDLANKPEYYGIEKDWVQTDIVPIVHTEKYGDKCAEFLVNDLKIQSPKDSVQLANAKELAYKEGFYNGTMLIGKYKGDKVEDAEPKVKQDLIDEGLAFVYNEPESQVISRSGDDCCVSLEDQWYIDYGEEAWLGEALECLKNMETYSKETRHGFEGVLAWMKNWAVTRKFGLGTKLPWDPQYLVESLSDSTVYMAYYTIDRFLHSDYYGKKAGKFDIKPEQMTDEVFDYIFTRRDDVETDIPKEQLKEMRREFEYFYPLDVRVSGKDLIPNHLTFFIYTHVALFPKRFWPRGVRANGHLLLNNAKMSKSTGNFMTLEQIIEKFGADASRIAMADAGDTVEDANFDEANANAAILRLTTLKDWCEEEVKNQDKLRTGDYDSFFDAAFENEMNDLIEKTYQQYTLSNYKQALKSGLFDFQIARDIYRESVNTTGIGMHKDLVLKYIEYQALMLAPIAPHFAEYLYREVLGKNGSVQTSKFPRASKPVSKAILDASEYVRSLTRSIREAEGQALKKKKGKSDVDGSKPTSLTVLVSNTFPEWQDNYIELVRELFEQNKLDDNNVIRQKVGKDMKRGMPYIHQIKTRLATEDADTVFNRKLTFDEIDTLKNVVEIVKNAPYSLKVEKLEILSFNNGETKGKNIISGEDNIELNFKGKIMENAVPGEPGIFIKNVE
  
Inhibitor
Name:
BDBM163674
Synonyms:
AN2690-AMP
Type:
Small organic molecule
Emp. Form.:
C18H18BFN5O4
Mol. Mass.:
398.177
SMILES:
CC[C@H]1O[C@H]([C@H]2O[B-]3(OCc4cc(F)ccc34)OC12)n1cnc2c(N)ncnc12 |r|
Structure:
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