2025-10-25_00000021
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ligand
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9D54
Crystal structure of KPC-2 complexed with compound 12;
X-ray diffraction 1.60Å
Protein #1
290 residues (93% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMLTNLVAEPFAKLEQDFGGSIGVYAMDTGSGATVSYRAEERFPLCSSFKGFLAAAVLARSQQQAGLLDTPIRYGKNALVPWSPISEKYLTTGMTVAELSAAAVQYSDNAAANLLLKELGGPAGLTAFMRSIGDTTFRLDRWELELNSAIPGDARDTSSPRAVTESLQKLTLGSALAAPQRQQFVDWLKGNTTGNHRIRAAVPADWAVGDKTGTCGVYGTANDYAVVWPTGRAPIVLAVYTRAPNKDDKHSEAVIAAAARLALEGLGVNGQ
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMLTNLVAEPFAKLEQDFGGSIGVYAMDTGSGATVSYRAEERFPLCSSFKGFLAAAVLARSQQQAGLLDTPIRYGKNALVPWSPISEKYLTTGMTVAELSAAAVQYSDNAAANLLLKELGGPAGLTAFMRSIGDTTFRLDRWELELNSAIPGDARDTSSPRAVTESLQKLTLGSALAAPQRQQFVDWLKGNTTGNHRIRAAVPADWAVGDKTGTCGVYGTANDYAVVWPTGRAPIVLAVYTRAPNKDDKHSEAVIAAAARLALEGLGVNGQ
Non polymer #2
A1A22
InChI=1S/C14H15FNO4P/c1-16-13-6-10(8-2-3-8)12(15)5-11(13)9(4-14(16)17)7-21(18,19)20/h4-6,8H,2-3,7H2,1H3,(H2,18,19,20)
InChI=1S/C14H15FNO4P/c1-16-13-6-10(8-2-3-8)12(15)5-11(13)9(4-14(16)17)7-21(18,19)20/h4-6,8H,2-3,7H2,1H3,(H2,18,19,20)
SMILES: CN1c2cc(c(cc2C(=CC1=O)CP(=O)(O)O)F)C3CC3
CN1c2cc(c(cc2C(=CC1=O)CP(=O)(O)O)F)C3CC3
Biounit #1
monomer
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Model
Reference
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