2024-08-31_00000024
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ligand
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8CF3
Crystal structure of S. aureus BlaR1 sensor domain in complex with cefepime;
X-ray diffraction 2.52Å
Protein #1
251 residues (100% resolved)
Raw Sequence ...
SITDYNYKKPLHNDYQILDKSKIFGSNSGSFVMYSMAADAYYIYNEKESRKRYSPNSTYKIYLAMFGLDRHIINDENSRMSWNHKHYPFDAWNKEQDLNTAMQNSVNWYFERISDQIPKNYTATQLKQLNYGNKNLGSYKSYWMEDSLKISNLEQVIVFKNMMEQNNHFSKKAKNQLSSSLLIKKNEKYELYGKTGTGIVNGKYNNGWFVGYVITNHDKYYFATHLSDGKPSGKNAELISEKILKEMGVLN
Canonical Sequence ...
SITDYNYKKPLHNDYQILDKSKIFGSNSGSFVMYSMAADAYYIYNEKESRKRYSPNSTYKIYLAMFGLDRHIINDENSRMSWNHKHYPFDAWNKEQDLNTAMQNSVNWYFERISDQIPKNYTATQLKQLNYGNKNLGSYKSYWMEDSLKISNLEQVIVFKNMMEQNNHFSKKAKNQLSSSLLIKKNEKYELYGKTGTGIVNGKYNNGWFVGYVITNHDKYYFATHLSDGKPSGKNAELISEKILKEMGVLN
Non polymer #2
UJ9
InChI=1S/C19H28N6O5S2/c1-25(5-3-4-6-25)7-11-9-31-17(23-14(11)18(28)29)12(8-26)21-16(27)15(24-30-2)13-10-32-19(20)22-13/h10-12,17,26H,3-9H2,1-2H3,(H3-,20,21,22,27,28,29)/p+1/b24-15-/t11-,12-,17-/m1/s1
InChI=1S/C19H28N6O5S2/c1-25(5-3-4-6-25)7-11-9-31-17(23-14(11)18(28)29)12(8-26)21-16(27)15(24-30-2)13-10-32-19(20)22-13/h10-12,17,26H,3-9H2,1-2H3,(H3-,20,21,22,27,28,29)/p+1/b24-15-/t11-,12-,17-/m1/s1
SMILES: C[N+]1(CCCC1)C[C@@H]2CS[C@@H](N=C2C(=O)O)[C@@H](CO)NC(=O)/C(=NOC)/c3csc(n3)N
C[N+]1(CCCC1)C[C@@H]2CS[C@@H](N=C2C(=O)O)[C@@H](CO)NC(=O)/C(=NOC)/c3csc(n3)N
Biounit #1
homo-dimer
Download coordinates
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Model
Reference
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