2026-10-03_00000193
|
ligand
|
9SUG
High Throughput Crystallography to Combat Antibiotic Resistance - VIM2 with compound x0822;
X-ray diffraction 1.38Å
Protein #1
242 residues (96% resolved)
Raw Sequence ...
GPVDSSGEYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNRSVVE
Canonical Sequence ...
GPVDSSGEYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNRSVVE
Non polymer #2
A1JP9
InChI=1S/C17H12FNO2/c18-13-5-3-12(4-6-13)15-8-7-14(11-16(15)17(20)21)19-9-1-2-10-19/h1-11H,(H,20,21)
InChI=1S/C17H12FNO2/c18-13-5-3-12(4-6-13)15-8-7-14(11-16(15)17(20)21)19-9-1-2-10-19/h1-11H,(H,20,21)
SMILES: c1ccn(c1)c2ccc(c(c2)C(=O)O)c3ccc(cc3)F
c1ccn(c1)c2ccc(c(c2)C(=O)O)c3ccc(cc3)F
Non polymer #3
DMS
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
InChI=1S/C2H6OS/c1-4(2)3/h1-2H3
SMILES: CS(=O)C
CS(=O)C
Non polymer #4
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 #5
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
Tube
Model
Reference
100%