2026-10-03_00000194
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ligand
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9SUH
High Throughput Crystallography to Combat Antibiotic Resistance - VIM2 with compound x0830;
X-ray diffraction 1.46Å
Protein #1
242 residues (96% resolved)
Raw Sequence ...
GPVDSSGEYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNRSVVE
Canonical Sequence ...
GPVDSSGEYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNRSVVE
Non polymer #2
A1JQL
InChI=1S/C16H11FN2O2/c17-12-5-3-11(4-6-12)13-7-8-14(18-15(13)16(20)21)19-9-1-2-10-19/h1-10H,(H,20,21)
InChI=1S/C16H11FN2O2/c17-12-5-3-11(4-6-12)13-7-8-14(18-15(13)16(20)21)19-9-1-2-10-19/h1-10H,(H,20,21)
SMILES: c1ccn(c1)c2ccc(c(n2)C(=O)O)c3ccc(cc3)F
c1ccn(c1)c2ccc(c(n2)C(=O)O)c3ccc(cc3)F
Non polymer #3
FMT
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
InChI=1S/CH2O2/c2-1-3/h1H,(H,2,3)
SMILES: C(=O)O
C(=O)O
Non polymer #4
ZN
InChI=1S/Zn/q+2
InChI=1S/Zn/q+2
SMILES: [Zn+2]
[Zn+2]
Biounit #1
monomer
Download coordinates
Biounit #2
monomer
Download coordinates
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Model
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