2024-01-27_00000102
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ligand
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8I6M
Acyl-ACP Synthetase structure bound to AMP-C18:1;
Electron microscopy 2.59Å
Protein #1
533 residues (99% resolved)
Raw Sequence ...
MNQYVNDPSNYQLLIKNLLFSPVAFNPEQEIVYANHRRHSYKTFHDRVRQFANALTKMGVKKGDTVAVMDYDSHRYLECYFAIPMIGAKLHMINVRLSPEQILYTIDHAEDDIILIHEEFLPILDQIKGRIDTVTRYVVLRDDEECEYERLLEQESTEYNFPDFDENTVATTFYTTGTTGFPKGVFFTHRQLVLHTMGILSTIGTNASQGRLHQGDIYMPITPMFHVHAWGLPYMATMLGVKQVYPGKYVPDVLLNLIEQEKVTFSHCVPTILHLLLSSPKSKAMDFSGWKVVIGGAALPKALCKSALERDIDVFAGYGMSETGPILSIVQLTPEQLELDVDQQAEYRSKTGKKVALVEAYIVDEDMNKLPHDGETAGEIVVRAPWLTPNYYKDNKNSKALWRGGYLHTGDVAHIDDEGFIKITDRVKDMIKISGEWVSSLELEDILHQHQSVSEVAVIGMPHNKWGEVPLALVTLKEDAQVTEKELLGFAKDFINKGILAREALLLKVKIVDEIAKTSVGKVDKKELRKLHL
Canonical Sequence ...
MNQYVNDPSNYQLLIKNLLFSPVAFNPEQEIVYANHRRHSYKTFHDRVRQFANALTKMGVKKGDTVAVMDYDSHRYLECYFAIPMIGAKLHMINVRLSPEQILYTIDHAEDDIILIHEEFLPILDQIKGRIDTVTRYVVLRDDEECEYERLLEQESTEYNFPDFDENTVATTFYTTGTTGFPKGVFFTHRQLVLHTMGILSTIGTNASQGRLHQGDIYMPITPMFHVHAWGLPYMATMLGVKQVYPGKYVPDVLLNLIEQEKVTFSHCVPTILHLLLSSPKSKAMDFSGWKVVIGGAALPKALCKSALERDIDVFAGYGMSETGPILSIVQLTPEQLELDVDQQAEYRSKTGKKVALVEAYIVDEDMNKLPHDGETAGEIVVRAPWLTPNYYKDNKNSKALWRGGYLHTGDVAHIDDEGFIKITDRVKDMIKISGEWVSSLELEDILHQHQSVSEVAVIGMPHNKWGEVPLALVTLKEDAQVTEKELLGFAKDFINKGILAREALLLKVKIVDEIAKTSVGKVDKKELRKLHL
Non polymer #2
AMP
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
InChI=1S/C10H14N5O7P/c11-8-5-9(13-2-12-8)15(3-14-5)10-7(17)6(16)4(22-10)1-21-23(18,19)20/h2-4,6-7,10,16-17H,1H2,(H2,11,12,13)(H2,18,19,20)/t4-,6-,7-,10-/m1/s1
SMILES: c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
c1nc(c2c(n1)n(cn2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=O)(O)O)O)O)N
Non polymer #3
MG
InChI=1S/Mg/q+2
InChI=1S/Mg/q+2
SMILES: [Mg+2]
[Mg+2]
Non polymer #4
OLA
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
InChI=1S/C18H34O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18(19)20/h9-10H,2-8,11-17H2,1H3,(H,19,20)/b10-9-
SMILES: CCCCCCCCC=C/CCCCCCCC(=O)O
CCCCCCCCC=C/CCCCCCCC(=O)O
Biounit #1
homo-hexamer
Download coordinates
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Model
Reference
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