2025-02-22_00000408
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ligand
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9G1T
Human LTC4 synthase in complex with compound 5;
X-ray diffraction 3.00Å
Protein #1
157 residues (91% resolved)
Raw Sequence ...
MHHHHHHGKDEVALLAAVTLLGVLLQAYFSLQVISARRAFRVSPPLTTGPPEFERVYRAQVNCSEYFPLFLATLWVAGIFFHEGAAALCGLVYLFARLRYFQGYARSAQLRLAPLYASARALWLLVALAALGLLAHFLPAALRAALLGRLRTLLPWA
Canonical Sequence ...
MHHHHHHGKDEVALLAAVTLLGVLLQAYFSLQVISARRAFRVSPPLTTGPPEFERVYRAQVNCSEYFPLFLATLWVAGIFFHEGAAALCGLVYLFARLRYFQGYARSAQLRLAPLYASARALWLLVALAALGLLAHFLPAALRAALLGRLRTLLPWA
Non polymer #2
A1IH0
InChI=1S/C24H24ClFN2O2/c25-20-10-9-19(17-21(20)26)28-23(30)7-4-12-24(28)13-15-27(16-14-24)22(29)11-8-18-5-2-1-3-6-18/h1-3,5-6,8-11,17H,4,7,12-16H2/b11-8+
InChI=1S/C24H24ClFN2O2/c25-20-10-9-19(17-21(20)26)28-23(30)7-4-12-24(28)13-15-27(16-14-24)22(29)11-8-18-5-2-1-3-6-18/h1-3,5-6,8-11,17H,4,7,12-16H2/b11-8+
SMILES: c1ccc(cc1)/C=C/C(=O)N2CCC3(CCCC(=O)N3c4ccc(c(c4)F)Cl)CC2
c1ccc(cc1)/C=C/C(=O)N2CCC3(CCCC(=O)N3c4ccc(c(c4)F)Cl)CC2
Non polymer #3
PAM
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
InChI=1S/C16H30O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h7-8H,2-6,9-15H2,1H3,(H,17,18)/b8-7-
SMILES: CCCCCCC=C/CCCCCCCC(=O)O
CCCCCCC=C/CCCCCCCC(=O)O
Non polymer #4
PLM
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
InChI=1S/C16H32O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16(17)18/h2-15H2,1H3,(H,17,18)
SMILES: CCCCCCCCCCCCCCCC(=O)O
CCCCCCCCCCCCCCCC(=O)O
Biounit #1
homo-trimer
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Model
Reference
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