2026-02-28_00000187|ligand|9NEJ

AZD-3 bound EFPA transporter of Mycobacterium tuberculosis; Electron microscopy 3.10Å
Protein #1 629 residues (75% resolved)

MGSSDYKDDDDKSSGLVPRGSMADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLRSFIAAVIAIGGMQLLATMDSTVAIVALPKIQNELSLSDAGRSWVITAYVLTFGGLMLLGGRLGDTIGRKRTFIVGVALFTISSVLCAVAWDEATLVIARLSQGVGSAIASPTGLALVATTFRKGPARNAATAVFAAMTAIGSVMGLVVGGALTEVSWRWAFLVNVPIGLVMIYLARTALRETNKERMKLDATGAILATLACTAAVFAFSIGPEKGWMSGITIGSGLVALAAAVAFVIVERTAENPVVPFHLFRDRNRLVTFSAILLAGGVMFSLTVCIGLYVQDILGYSALRAGVGFIPFVIAMGIGLGVSSQLVSRFSPRVLTIGGGYLLFGAMLYGSFFMHRGVPYFPNLVMPIVVGGIGIGMAVVPLTLSAIAGVGFDQIGPVSAIALMLQSLGGPLVLAVIQAVITSRTLYLGGTTGPVKFMNDVQLAALDHAYTYGLLWVAGAAIIVGGMALFIGYTPQQVAHAQEVKEAIDAGELSSENLYFQGHHHHHHHHHH

MGSSDYKDDDDKSSGLVPRGSMADLEDNWETLNDNLKVIEKADNAAQVKDALTKMRAAALDAQKATPPKLEDKSPDSPEMKDFRHGFDILVGQIDDALKLANEGKVKEAQAAAEQLKTTRNAYIQKYLRSFIAAVIAIGGMQLLATMDSTVAIVALPKIQNELSLSDAGRSWVITAYVLTFGGLMLLGGRLGDTIGRKRTFIVGVALFTISSVLCAVAWDEATLVIARLSQGVGSAIASPTGLALVATTFRKGPARNAATAVFAAMTAIGSVMGLVVGGALTEVSWRWAFLVNVPIGLVMIYLARTALRETNKERMKLDATGAILATLACTAAVFAFSIGPEKGWMSGITIGSGLVALAAAVAFVIVERTAENPVVPFHLFRDRNRLVTFSAILLAGGVMFSLTVCIGLYVQDILGYSALRAGVGFIPFVIAMGIGLGVSSQLVSRFSPRVLTIGGGYLLFGAMLYGSFFMHRGVPYFPNLVMPIVVGGIGIGMAVVPLTLSAIAGVGFDQIGPVSAIALMLQSLGGPLVLAVIQAVITSRTLYLGGTTGPVKFMNDVQLAALDHAYTYGLLWVAGAAIIVGGMALFIGYTPQQVAHAQEVKEAIDAGELSSENLYFQGHHHHHHHHHH
Non polymer #2 A1ATG

InChI=1S/C40H65O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h5-8,13-18,25,27,30,32,37-38,41-42H,3-4,9-12,19-24,26,28-29,31,33-36H2,1-2H3,(H,45,46)/b7-5+,8-6+,15-13-,16-14+,18-17+,27-25+,32-30+/t37-,38+/m1/s1

CC/C=C/CC/C=C/CCCCC/C=C/C(=O)O[C@@H](COC(=O)CC/C=C/CCC/C=C/C=C\CC/C=C/CC)COP(=O)(O)OC[C@@H](CO)O
Non polymer #3 A1BXT

InChI=1S/C40H73O10P/c1-3-5-7-9-11-13-15-17-18-20-21-23-25-27-29-31-39(43)47-35-38(36-49-51(45,46)48-34-37(42)33-41)50-40(44)32-30-28-26-24-22-19-16-14-12-10-8-6-4-2/h7,9,12,14,17-18,37-38,41-42H,3-6,8,10-11,13,15-16,19-36H2,1-2H3,(H,45,46)/b9-7+,14-12+,18-17+/t37-,38-/m1/s1

CCCCC/C=C/CCCCCCCCC(=O)O[C@H](COC(=O)CCCCCCC/C=C/CCC/C=C/CCC)COP(=O)(O)OC[C@@H](CO)O
Non polymer #4 A1BXW

InChI=1S/C22H21N3O2/c1-25-19-11-12-23-22(24-15-7-6-8-16(13-15)26-2)18(19)14-20(25)17-9-4-5-10-21(17)27-3/h4-14H,1-3H3,(H,23,24)

Cn1c2ccnc(c2cc1c3ccccc3OC)Nc4cccc(c4)OC
Download coordinates
Reference