2025-01-18_00000010
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ligand
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8RWP
KPC-2 G89D Mutant in Complex with Avibactam;
X-ray diffraction 1.19Å
Protein #1
290 residues (93% resolved)
Raw Sequence ...
MGSSHHHHHHSSGLVPRGSHMLTNLVAEPFAKLEQDFGGSIGVYAMDTGSGATVSYRAEERFPLCSSFKGFLAAAVLARSQQQADLLDTPIRYGKNALVPWSPISEKYLTTGMTVAELSAAAVQYSDNAAANLLLKELGGPAGLTAFMRSIGDTTFRLDRWELELNSAIPGDARDTSSPRAVTESLQKLTLGSALAAPQRQQFVDWLKGNTTGNHRIRAAVPADWAVGDKTGTCGVYGTANDYAVVWPTGRAPIVLAVYTRAPNKDDKHSEAVIAAAARLALEGLGVNGQ
Canonical Sequence ...
MGSSHHHHHHSSGLVPRGSHMLTNLVAEPFAKLEQDFGGSIGVYAMDTGSGATVSYRAEERFPLCSSFKGFLAAAVLARSQQQADLLDTPIRYGKNALVPWSPISEKYLTTGMTVAELSAAAVQYSDNAAANLLLKELGGPAGLTAFMRSIGDTTFRLDRWELELNSAIPGDARDTSSPRAVTESLQKLTLGSALAAPQRQQFVDWLKGNTTGNHRIRAAVPADWAVGDKTGTCGVYGTANDYAVVWPTGRAPIVLAVYTRAPNKDDKHSEAVIAAAARLALEGLGVNGQ
Non polymer #2
A1H3M
InChI=1S/C7H11N3O2/c8-5-1-2-6(7(9)12)10(3-5)4-11/h4,6,8H,1-3H2,(H2,9,12)/b8-5+/t6-/m0/s1
InChI=1S/C7H11N3O2/c8-5-1-2-6(7(9)12)10(3-5)4-11/h4,6,8H,1-3H2,(H2,9,12)/b8-5+/t6-/m0/s1
SMILES: [H]/N=C/1CC[C@H](N(C1)C=O)C(=O)N
[H]/N=C/1CC[C@H](N(C1)C=O)C(=O)N
Non polymer #3
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
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
Biounit #1
monomer
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Model
Reference
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