2024-05-11_00000142
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ligand
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8JEM
DltB tetramer in complex with inhibitor m-AMSA;
Electron microscopy 3.23Å
Protein #1
440 residues (95% resolved)
Raw Sequence ...
MGSSHHHHHHNYDIPTTENLYFQGSMIDFLKQLPHLEPYGNPFYFIYLGIALLPIFIGLFFKKRFAIYECLVSITFIVLALTGTHASQILALLFYIVWQIIWVYSYKRYRSQRDNKWVFYLHSFLVVLPLILVKVEPTINGTQSLLNFLGISYLTFRAVGMIIEMRDGVLKEFTLGEFLRFMLFMPTFTSGPIDRFKRFNEDYQSIPNRDELLNMLEQAVKYIMLGFLYKFVLAQIFGSMLLPPLKAQALSQGGIFNLPTLGVMYVYGFDLFFDFAGYSMFALAVSNLMGIKSPINFDKPFISRDMKEFWNRWHMSLSFWFRDFVFMRLVIVLMRNKVFKNRNTTSNVAYIINMMVMGFWHGITWYYIAYGIFHGIGLVINDAWLRKKKTINKDRKKAGLKPLPENKWTKALGIFITFNTVMLSFLIFSGFLNDLWFTKK
Canonical Sequence ...
MGSSHHHHHHNYDIPTTENLYFQGSMIDFLKQLPHLEPYGNPFYFIYLGIALLPIFIGLFFKKRFAIYECLVSITFIVLALTGTHASQILALLFYIVWQIIWVYSYKRYRSQRDNKWVFYLHSFLVVLPLILVKVEPTINGTQSLLNFLGISYLTFRAVGMIIEMRDGVLKEFTLGEFLRFMLFMPTFTSGPIDRFKRFNEDYQSIPNRDELLNMLEQAVKYIMLGFLYKFVLAQIFGSMLLPPLKAQALSQGGIFNLPTLGVMYVYGFDLFFDFAGYSMFALAVSNLMGIKSPINFDKPFISRDMKEFWNRWHMSLSFWFRDFVFMRLVIVLMRNKVFKNRNTTSNVAYIINMMVMGFWHGITWYYIAYGIFHGIGLVINDAWLRKKKTINKDRKKAGLKPLPENKWTKALGIFITFNTVMLSFLIFSGFLNDLWFTKK
Non polymer #2
ASW
InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
InChI=1S/C21H19N3O3S/c1-27-20-13-14(24-28(2,25)26)11-12-19(20)23-21-15-7-3-5-9-17(15)22-18-10-6-4-8-16(18)21/h3-13,24H,1-2H3,(H,22,23)
SMILES: COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C
COc1cc(ccc1Nc2c3ccccc3nc4c2cccc4)NS(=O)(=O)C
Non polymer #3
DGA
InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1
InChI=1S/C39H76O5/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-38(41)43-36-37(35-40)44-39(42)34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h37,40H,3-36H2,1-2H3/t37-/m0/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC
CCCCCCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(=O)CCCCCCCCCCCCCCCCC
Non polymer #4
LMT
InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1
InChI=1S/C24H46O11/c1-2-3-4-5-6-7-8-9-10-11-12-32-23-21(31)19(29)22(16(14-26)34-23)35-24-20(30)18(28)17(27)15(13-25)33-24/h15-31H,2-14H2,1H3/t15-,16-,17-,18+,19-,20-,21-,22-,23-,24-/m1/s1
SMILES: CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
CCCCCCCCCCCCO[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)CO)O[C@@H]2[C@@H]([C@H]([C@@H]([C@H](O2)CO)O)O)O)O)O
Non polymer #5
PGT
InChI=1S/C40H79O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/t37-,38+/m1/s1
InChI=1S/C40H79O10P/c1-3-5-7-9-11-13-15-17-18-20-22-24-26-28-30-32-40(44)50-38(36-49-51(45,46)48-34-37(42)33-41)35-47-39(43)31-29-27-25-23-21-19-16-14-12-10-8-6-4-2/h37-38,41-42H,3-36H2,1-2H3,(H,45,46)/t37-,38+/m1/s1
SMILES: CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O
CCCCCCCCCCCCCCCCCC(=O)O[C@@H](COC(=O)CCCCCCCCCCCCCCC)CO[P@@](=O)(O)OC[C@@H](CO)O
Biounit #1
homo-tetramer
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Model
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