2024-07-06_00000004
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ligand
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8C0S
Crystal structure of S. aureus BlaR1 sensor domain in complex with an imidazole inhibitor;
X-ray diffraction 2.00Å
Protein #1
254 residues (99% resolved)
Raw Sequence ...
QSITDYNYKKPLHNDYQILDKSKIFGSNSGSFVMYSMAADAYYIYNEKESRKRYSPNSTYKIYLAMFGLDRHIINDENSRMSWNHKHYPFDAWNKEQDLNTAMQNSVNWYFERISDQIPKNYTATQLKQLNYGNKNLGSYKSYWMEDSLKISNLEQVIVFKNMMEQNNHFSKKAKNQLSSSLLIKKNEKYELYGKTGTGIVNGKYNNGWFVGYVITNHDKYYFATHLSDGKPSGKNAELISEKILKEMGVLNGQ
Canonical Sequence ...
QSITDYNYKKPLHNDYQILDKSKIFGSNSGSFVMYSMAADAYYIYNEKESRKRYSPNSTYKIYLAMFGLDRHIINDENSRMSWNHKHYPFDAWNKEQDLNTAMQNSVNWYFERISDQIPKNYTATQLKQLNYGNKNLGSYKSYWMEDSLKISNLEQVIVFKNMMEQNNHFSKKAKNQLSSSLLIKKNEKYELYGKTGTGIVNGKYNNGWFVGYVITNHDKYYFATHLSDGKPSGKNAELISEKILKEMGVLNGQ
Non polymer #2
SYU
InChI=1S/C13H10F6N2OS/c14-12(15,16)8-2-1-7(10(3-8)13(17,18)19)4-21-5-9(6-22)20-11(21)23/h1-3,5,22H,4,6H2,(H,20,23)
InChI=1S/C13H10F6N2OS/c14-12(15,16)8-2-1-7(10(3-8)13(17,18)19)4-21-5-9(6-22)20-11(21)23/h1-3,5,22H,4,6H2,(H,20,23)
SMILES: c1cc(c(cc1C(F)(F)F)C(F)(F)F)CN2C=C(NC2=S)CO
c1cc(c(cc1C(F)(F)F)C(F)(F)F)CN2C=C(NC2=S)CO
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
Reference
100%