2025-08-09_00000359
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ligand
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9JSE
Crystal Structure of PenI beta-Lactamase from Burkholderia pseudomallei Complex with Taniborbactam;
X-ray diffraction 1.25Å
Protein #1
264 residues (100% resolved)
Raw Sequence ...
NVAAAERQLRELESTFDGRLGFVALDTATGARIAHRGDERFPFCSTSKMMLCAAVLARSAGEPALLQRRIAYAKGDLIRYSPITEQHVGAGMSVAELCAATLQYSDNTAANLLIALLGGPQTVTAYARSIGDATFRLDRREPELNTALPGDERDTTTPAAMAASVHRLLVGDALGAAQRAQLNAWMLGNKTGDARIRAGVPADWRVADKTGTGDYGTANDIGVAYPPNRAPIVFIVYTTMRNPNAQARDDVIASATRIAARAFA
Canonical Sequence ...
NVAAAERQLRELESTFDGRLGFVALDTATGARIAHRGDERFPFCSTSKMMLCAAVLARSAGEPALLQRRIAYAKGDLIRYSPITEQHVGAGMSVAELCAATLQYSDNTAANLLIALLGGPQTVTAYARSIGDATFRLDRREPELNTALPGDERDTTTPAAMAASVHRLLVGDALGAAQRAQLNAWMLGNKTGDARIRAGVPADWRVADKTGTGDYGTANDIGVAYPPNRAPIVFIVYTTMRNPNAQARDDVIASATRIAARAFA
Non polymer #2
KJK
InChI=1S/C19H28BN3O5/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)28-20(16)27/h1-3,12,14,16,22,27H,4-11,21H2,(H,23,24)(H,25,26)/t12-,14-,16-/m0/s1
InChI=1S/C19H28BN3O5/c21-8-9-22-14-6-4-12(5-7-14)10-17(24)23-16-11-13-2-1-3-15(19(25)26)18(13)28-20(16)27/h1-3,12,14,16,22,27H,4-11,21H2,(H,23,24)(H,25,26)/t12-,14-,16-/m0/s1
SMILES: B1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)O
B1([C@H](Cc2cccc(c2O1)C(=O)O)NC(=O)CC3CCC(CC3)NCCN)O
Biounit #1
monomer
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Model
Reference
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