2025-02-08_00000209
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ligand
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9CCZ
Crystal Structure of the K. pneumoniae LpxH / JH-LPH-92 Complex;
X-ray diffraction 2.10Å
Protein #1
259 residues (94% resolved)
Raw Sequence ...
MATLFIADLHLQTEEPAITAGFLRFLQGEARQADALYILGDLFEAWIGDDDPNPLHQQIASAIKAVVDAGVPCYFIHGNRDFLVGQRFARQSGMILLAEEERLDLYGREVLIMHGDTLCTDDQGYLAFRAKVHTPWIQRLFLALPLFIRHRIAARMRADSKAANSSKSMEIMDVNPQAVVDAMERHHVQWLIHGHTHRPAVHELQANGQPAWRVVLGAWHSEGSMVKVTPDDVELIHFPFLEENLYFQSHHHHHHHHHH
Canonical Sequence ...
MATLFIADLHLQTEEPAITAGFLRFLQGEARQADALYILGDLFEAWIGDDDPNPLHQQIASAIKAVVDAGVPCYFIHGNRDFLVGQRFARQSGMILLAEEERLDLYGREVLIMHGDTLCTDDQGYLAFRAKVHTPWIQRLFLALPLFIRHRIAARMRADSKAANSSKSMEIMDVNPQAVVDAMERHHVQWLIHGHTHRPAVHELQANGQPAWRVVLGAWHSEGSMVKVTPDDVELIHFPFLEENLYFQSHHHHHHHHHH
Non polymer #2
A1AV0
InChI=1S/C20H20ClF3N4O3S/c1-13(29)28-5-4-14-10-16(2-3-17(14)28)32(30,31)27-8-6-26(7-9-27)19-12-15(20(22,23)24)11-18(21)25-19/h2-3,10-12H,4-9H2,1H3
InChI=1S/C20H20ClF3N4O3S/c1-13(29)28-5-4-14-10-16(2-3-17(14)28)32(30,31)27-8-6-26(7-9-27)19-12-15(20(22,23)24)11-18(21)25-19/h2-3,10-12H,4-9H2,1H3
SMILES: CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cc(cc(n4)Cl)C(F)(F)F
CC(=O)N1CCc2c1ccc(c2)S(=O)(=O)N3CCN(CC3)c4cc(cc(n4)Cl)C(F)(F)F
Non polymer #3
MN
InChI=1S/Mn/q+2
InChI=1S/Mn/q+2
SMILES: [Mn+2]
[Mn+2]
Non polymer #4
PEG
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
InChI=1S/C4H10O3/c5-1-3-7-4-2-6/h5-6H,1-4H2
SMILES: C(COCCO)O
C(COCCO)O
Biounit #1
monomer
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Model
Reference
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