2025-05-24_00000107|ligand|9FBT

Structure of KPC-2 complexed with benzoxaborole AK-431; X-ray diffraction 1.07Å
Protein #1 290 residues (92% resolved)

MGSSHHHHHHSSGLVPRGSHMLTNLVAEPFAKLEQDFGGSIGVYAMDTGSGATVSYRAEERFPLCSSFKGFLAAAVLARSQQQAGLLDTPIRYGKNALVPWSPISEKYLTTGMTVAELSAAAVQYSDNAAANLLLKELGGPAGLTAFMRSIGDTTFRLDRWELELNSAIPGDARDTSSPRAVTESLQKLTLGSALAAPQRQQFVDWLKGNTTGNHRIRAAVPADWAVGDKTGTCGVYGTANDYAVVWPTGRAPIVLAVYTRAPNKDDKHSEAVIAAAARLALEGLGVNGQ

MGSSHHHHHHSSGLVPRGSHMLTNLVAEPFAKLEQDFGGSIGVYAMDTGSGATVSYRAEERFPLCSSFKGFLAAAVLARSQQQAGLLDTPIRYGKNALVPWSPISEKYLTTGMTVAELSAAAVQYSDNAAANLLLKELGGPAGLTAFMRSIGDTTFRLDRWELELNSAIPGDARDTSSPRAVTESLQKLTLGSALAAPQRQQFVDWLKGNTTGNHRIRAAVPADWAVGDKTGTCGVYGTANDYAVVWPTGRAPIVLAVYTRAPNKDDKHSEAVIAAAARLALEGLGVNGQ
Non polymer #2 A1H1U

InChI=1S/C9H9BO4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-4,8,13H,5H2,(H,11,12)/t8-/m1/s1

B1(c2ccccc2[C@H](O1)CC(=O)O)O
Non polymer #3 A1IB7

InChI=1S/C9H12BO5/c11-8(5-9(12)13)6-3-1-2-4-7(6)10(14)15/h1-4,8,10-11,14-15H,5H2,(H,12,13)/t8-/m0/s1

[BH](c1ccccc1[C@H](CC(=O)O)O)(O)O
Non polymer #4 NA

InChI=1S/Na/q+1

[Na+]
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