2025-04-26_00000176
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ligand
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9F0R
VIM-2 in complex with GKV65 (5g) - dynamically chiral phosphonic acid-type metallo-beta-lactamase inhibitors;
X-ray diffraction 1.30Å
Protein #1
254 residues (91% resolved)
Raw Sequence ...
MHHHHHHENLYFQGVDSSGEYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNRSVVE
Canonical Sequence ...
MHHHHHHENLYFQGVDSSGEYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNRSVVE
Non polymer #2
A1H8V
InChI=1S/C16H18NO5PS/c18-13-8-4-3-7-12(13)16(23(20,21)22)17-15(19)14-11-6-2-1-5-10(11)9-24-14/h3-4,7-9,16,18H,1-2,5-6H2,(H,17,19)(H2,20,21,22)/t16-/m1/s1
InChI=1S/C16H18NO5PS/c18-13-8-4-3-7-12(13)16(23(20,21)22)17-15(19)14-11-6-2-1-5-10(11)9-24-14/h3-4,7-9,16,18H,1-2,5-6H2,(H,17,19)(H2,20,21,22)/t16-/m1/s1
SMILES: c1ccc(c(c1)[C@H](NC(=O)c2c3c(cs2)CCCC3)P(=O)(O)O)O
c1ccc(c(c1)[C@H](NC(=O)c2c3c(cs2)CCCC3)P(=O)(O)O)O
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
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
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
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Model
Reference
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