2025-04-26_00000174|ligand|9F0P

VIM-2 in complex with GKV61 (5c) - dynamically chiral phosphonic acid-type metallo-beta-lactamase inhibitors; X-ray diffraction 1.34Å

Protein #1 254 residues (91% resolved)

Raw Sequence ...

MHHHHHHENLYFQGVDSSGEYPTVSEIPVGEVRLYQIADGVWSHIATQSFDGAVYPSNGLIVRDGDELLLIDTAWGAKNTAALLAEIEKQIGLPVTRAVSTHFHDDRVGGVDVLRAAGVATYASPSTRRLAEVEGNEIPTHSLEGLSSSGDAVRFGPVELFYPGAAHSTDNLVVYVPSASVLYGGCAIYELSRTSAGNVADADLAEWPTSIERIQQHYPEAQFVIPGHGLPGGLDLLKHTTNVVKAHTNRSVVE

Canonical Sequence ...

Non polymer #2 A1H8T

InChI=1S/C16H14NO5PS/c18-12-7-3-2-6-11(12)16(23(20,21)22)17-15(19)14-9-10-5-1-4-8-13(10)24-14/h1-9,16,18H,(H,17,19)(H2,20,21,22)/t16-/m1/s1

SMILES: c1ccc2c(c1)cc(s2)C(=O)N[C@@H](c3ccccc3O)P(=O)(O)O

c1ccc2c(c1)cc(s2)C(=O)N[C@@H](c3ccccc3O)P(=O)(O)O

Non polymer #3 A1IKA

InChI=1S/C16H14NO5PS/c18-12-7-3-2-6-11(12)16(23(20,21)22)17-15(19)14-9-10-5-1-4-8-13(10)24-14/h1-9,16,18H,(H,17,19)(H2,20,21,22)/t16-/m0/s1

SMILES: c1ccc2c(c1)cc(s2)C(=O)N[C@H](c3ccccc3O)P(=O)(O)O

c1ccc2c(c1)cc(s2)C(=O)N[C@H](c3ccccc3O)P(=O)(O)O

Non polymer #4 FMT

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

SMILES: [Zn+2]

[Zn+2]

Biounit #1 monomer

Biounit #2 monomer

Reference