2025-08-30_00000105|ligand|9H17

Crystal structure of OXA-405 in complex with avibactam; X-ray diffraction 1.46Å

Protein #1 241 residues (100% resolved)

Raw Sequence ...

GPKEWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTF(KCX)IPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSPKIGWWVGWVELDDNVWFFAMNMDMPTSDGLGLRQAITKEVLKQEKIIP

Canonical Sequence ...

GPKEWQENKSWNAHFTEHKSQGVVVLWNENKQQGFTNNLKRANQAFLPASTFKIPNSLIALDLGVVKDEHQVFKWDGQTRDIATWNRDHNLITAMKYSVVPVYQEFARQIGEARMSKMLHAFDYGNEDISGNVDSFWLDGGIRISATEQISFLRKLYHNKLHVSERSQRIVKQAMLTEANGDYIIRAKTGYSPKIGWWVGWVELDDNVWFFAMNMDMPTSDGLGLRQAITKEVLKQEKIIP

Non polymer #2 A1IY4

InChI=1S/C7H13N3O3/c8-7(12)6-2-1-5(9-13)3-10(6)4-11/h4-6,9,13H,1-3H2,(H2,8,12)/t5-,6+/m1/s1

SMILES: C1C[C@H](N(C[C@@H]1NO)C=O)C(=O)N

C1C[C@H](N(C[C@@H]1NO)C=O)C(=O)N

Non polymer #3 CL

InChI=1S/ClH/h1H/p-1

SMILES: [Cl-]

[Cl-]

Non polymer #4 EDO

InChI=1S/C2H6O2/c3-1-2-4/h3-4H,1-2H2

SMILES: C(CO)O

C(CO)O

Non polymer #5 NXL

InChI=1S/C7H13N3O6S/c8-7(12)6-2-1-5(3-10(6)4-11)9-16-17(13,14)15/h4-6,9H,1-3H2,(H2,8,12)(H,13,14,15)/t5-,6+/m1/s1

SMILES: C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N

C1C[C@H](N(C[C@@H]1NOS(=O)(=O)O)C=O)C(=O)N

Non polymer #6 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

SMILES: C(COCCO)O

C(COCCO)O

Non polymer #7 PGE

InChI=1S/C6H14O4/c7-1-3-9-5-6-10-4-2-8/h7-8H,1-6H2

SMILES: C(COCCOCCO)O

C(COCCOCCO)O

Biounit #1 homo-dimer

Reference