2026-10-03_00000190
|
ligand
|
9SUD
High Throughput Crystallography to Combat Antibiotic Resistance - VIM2 with compound x0801;
X-ray diffraction 1.41Å
Protein #1
242 residues (96% resolved)
Raw Sequence ...
GPVDSSGEYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNRSVVE
Canonical Sequence ...
GPVDSSGEYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNRSVVE
Non polymer #2
A1JP7
InChI=1S/C12H11NO3/c14-8-9-4-5-13(7-9)11-3-1-2-10(6-11)12(15)16/h1-7,14H,8H2,(H,15,16)
InChI=1S/C12H11NO3/c14-8-9-4-5-13(7-9)11-3-1-2-10(6-11)12(15)16/h1-7,14H,8H2,(H,15,16)
SMILES: c1cc(cc(c1)n2ccc(c2)CO)C(=O)O
c1cc(cc(c1)n2ccc(c2)CO)C(=O)O
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%