2026-05-02_00000122|ligand|9PAQ

Crystal Structure of the Klebsiella pneumoniae LpxH/E2-1 Complex; X-ray diffraction 1.80Å
Protein #1 260 residues (89% resolved)

MVATLFIADLHLQTEEPAITAGFLRFLQGEARQADALYILGDLFEAWIGDDDPNPLHQQIASAIKAVVDAGVPCYFIHGNRDFLVGQRFARQSGMILLAEEERLDLYGREVLIMHGDTLCTDDQGYLAFRAKVHTPWIQRLFLALPLFIRHRIAARMRADSKAANSSKSMEIMDVNPQAVVDAMERHHVQWLIHGHTHRPAVHELQANGQPAWRVVLGAWHSEGSMVKVTPDDVELIHFPFLEENLYFQSHHHHHHHHHH

MVATLFIADLHLQTEEPAITAGFLRFLQGEARQADALYILGDLFEAWIGDDDPNPLHQQIASAIKAVVDAGVPCYFIHGNRDFLVGQRFARQSGMILLAEEERLDLYGREVLIMHGDTLCTDDQGYLAFRAKVHTPWIQRLFLALPLFIRHRIAARMRADSKAANSSKSMEIMDVNPQAVVDAMERHHVQWLIHGHTHRPAVHELQANGQPAWRVVLGAWHSEGSMVKVTPDDVELIHFPFLEENLYFQSHHHHHHHHHH
Non polymer #2 A1CHL

InChI=1S/C27H28Cl2N4O4S/c1-31(38(2,36)37)25-6-4-3-5-24(25)27(35)30-22-9-7-19(8-10-22)15-26(34)33-13-11-32(12-14-33)23-17-20(28)16-21(29)18-23/h3-10,16-18H,11-15H2,1-2H3,(H,30,35)

CN(c1ccccc1C(=O)Nc2ccc(cc2)CC(=O)N3CCN(CC3)c4cc(cc(c4)Cl)Cl)S(=O)(=O)C
Non polymer #3 MN

InChI=1S/Mn/q+2

[Mn+2]
Non polymer #4 PEG

InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2

C(COCCO)O
Non polymer #5 PG4

InChI=1S/C8H18O5/c9-1-3-11-5-7-13-8-6-12-4-2-10/h9-10H,1-8H2

C(COCCOCCOCCO)O
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Reference