2025-08-16_00000146
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ligand
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9D5Q
Crystal structure of KPC-2 complexed with compound 21;
X-ray diffraction 1.99Å
Protein #1
290 residues (93% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMLTNLVAEPFAKLEQDFGGSIGVYAMDTGSGATVSYRAEERFPLCSSFKGFLAAAVLARSQQQAGLLDTPIRYGKNALVPWSPISEKYLTTGMTVAELSAAAVQYSDNAAANLLLKELGGPAGLTAFMRSIGDTTFRLDRWELELNSAIPGDARDTSSPRAVTESLQKLTLGSALAAPQRQQFVDWLKGNTTGNHRIRAAVPADWAVGDKTGTCGVYGTANDYAVVWPTGRAPIVLAVYTRAPNKDDKHSEAVIAAAARLALEGLGVNGQ
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMLTNLVAEPFAKLEQDFGGSIGVYAMDTGSGATVSYRAEERFPLCSSFKGFLAAAVLARSQQQAGLLDTPIRYGKNALVPWSPISEKYLTTGMTVAELSAAAVQYSDNAAANLLLKELGGPAGLTAFMRSIGDTTFRLDRWELELNSAIPGDARDTSSPRAVTESLQKLTLGSALAAPQRQQFVDWLKGNTTGNHRIRAAVPADWAVGDKTGTCGVYGTANDYAVVWPTGRAPIVLAVYTRAPNKDDKHSEAVIAAAARLALEGLGVNGQ
Non polymer #2
A1A13
InChI=1S/C19H17BrNO4P/c20-16-8-9-17-15(13-26(23,24)25)11-19(22)21(18(17)12-16)10-4-7-14-5-2-1-3-6-14/h1-6,8-12H,7,13H2,(H2,23,24,25)/b10-4-
InChI=1S/C19H17BrNO4P/c20-16-8-9-17-15(13-26(23,24)25)11-19(22)21(18(17)12-16)10-4-7-14-5-2-1-3-6-14/h1-6,8-12H,7,13H2,(H2,23,24,25)/b10-4-
SMILES: c1ccc(cc1)C/C=C\N2c3cc(ccc3C(=CC2=O)CP(=O)(O)O)Br
c1ccc(cc1)C/C=C\N2c3cc(ccc3C(=CC2=O)CP(=O)(O)O)Br
Biounit #1
monomer
Download coordinates
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Model
Reference
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