2024-07-06_00000025
|
ligand
|
8JYL
Acyl-ACP Synthetase structure bound to C10-AMS;
Electron microscopy 2.33Å
Protein #1
532 residues (99% resolved)
Raw Sequence ...
MNQYVNDPSNYQLLIKNLLFSPVAFNPEQEIVYANHRRHSYKTFHDRVRQFANALTKMGVKKGDTVAVMDYDSHRYLECYFAIPMIGAKLHMINVRLSPEQILYTIDHAEDDIILIHEEFLPILDQIKGRIDTVTRYVVLRDDEECEYERLLEQESTEYNFPDFDENTVATTFYTTGTTGFPKGVFFTHRQLVLHTMGILSTIGTNASQGRLHQGDIYMPITPMFHVHAWGLPYMATMLGVKQVYPGKYVPDVLLNLIEQEKVTFSHCVPTILHLLLSSPKSKAMDFSGWKVVIGGAALPKALCKSALERDIDVFAGYGMSETGPILSIVQLTPEQLELDVDQQAEYRSKTGKKVALVEAYIVDEDMNKLPHDGETAGEIVVRAPWLTPNYYKDNKNSKALWRGGYLHTGDVAHIDDEGFIKITDRVKDMIKISGEWVSSLELEDILHQHQSVSEVAVIGMPHNKWGEVPLALVTLKEDAQVTEKELLGFAKDFINKGILAREALLLKVKIVDEIAKTSVGKVDKKELRKLH
Canonical Sequence ...
MNQYVNDPSNYQLLIKNLLFSPVAFNPEQEIVYANHRRHSYKTFHDRVRQFANALTKMGVKKGDTVAVMDYDSHRYLECYFAIPMIGAKLHMINVRLSPEQILYTIDHAEDDIILIHEEFLPILDQIKGRIDTVTRYVVLRDDEECEYERLLEQESTEYNFPDFDENTVATTFYTTGTTGFPKGVFFTHRQLVLHTMGILSTIGTNASQGRLHQGDIYMPITPMFHVHAWGLPYMATMLGVKQVYPGKYVPDVLLNLIEQEKVTFSHCVPTILHLLLSSPKSKAMDFSGWKVVIGGAALPKALCKSALERDIDVFAGYGMSETGPILSIVQLTPEQLELDVDQQAEYRSKTGKKVALVEAYIVDEDMNKLPHDGETAGEIVVRAPWLTPNYYKDNKNSKALWRGGYLHTGDVAHIDDEGFIKITDRVKDMIKISGEWVSSLELEDILHQHQSVSEVAVIGMPHNKWGEVPLALVTLKEDAQVTEKELLGFAKDFINKGILAREALLLKVKIVDEIAKTSVGKVDKKELRKLH
Non polymer #2
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #3
VUL
InChI=1S/C20H32N6O7S/c1-2-3-4-5-6-7-8-9-14(27)25-34(30,31)32-10-13-16(28)17(29)20(33-13)26-12-24-15-18(21)22-11-23-19(15)26/h11-13,16-17,20,28-29H,2-10H2,1H3,(H,25,27)(H2,21,22,23)/t13-,16-,17-,20-/m1/s1
InChI=1S/C20H32N6O7S/c1-2-3-4-5-6-7-8-9-14(27)25-34(30,31)32-10-13-16(28)17(29)20(33-13)26-12-24-15-18(21)22-11-23-19(15)26/h11-13,16-17,20,28-29H,2-10H2,1H3,(H,25,27)(H2,21,22,23)/t13-,16-,17-,20-/m1/s1
SMILES: CCCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
CCCCCCCCCC(=O)NS(=O)(=O)OC[C@@H]1[C@H]([C@H]([C@@H](O1)n2cnc3c2ncnc3N)O)O
Biounit #1
homo-hexamer
Download coordinates
Tube
Model
Reference
100%