2024-06-22_00000323|ligand|9B70

Cryo-EM structure of MraY in complex with analogue 2; Electron microscopy 2.88Å
Protein #1 365 residues (93% resolved)

GPAVPRMLYQLALLLKDYWFAFNVLKYITFRSFTAVLIAFFLTLVLSPSFINRLRKIQRLFGGYVREYTPESHEVKKYTPTMGGIVILIVVTLSTLLLMRWDIKYTWVVLLSFLSFGTIGFWDDYVKLKNKKGISIKTKFLLQVLSASLISVLIYYWADIDTILYFPFFKELYVDLGVLYLPFAVFVIVGSANAVNLTDGLDGLAIGPAMTTATALGVVAYAVGHSKIAQYLNIPYVPYAGELTVFCFALVGAGLGFLWFNSFPAQMFMGDVGSLSIGASLATVALLTKSEFIFAVAAGVFVFETISVILQIIYFRWTGGKRLFKRAPFHHHLELNGLPEPKIVVRMWIISILLAIIAISMLKLR

GPAVPRMLYQLALLLKDYWFAFNVLKYITFRSFTAVLIAFFLTLVLSPSFINRLRKIQRLFGGYVREYTPESHEVKKYTPTMGGIVILIVVTLSTLLLMRWDIKYTWVVLLSFLSFGTIGFWDDYVKLKNKKGISIKTKFLLQVLSASLISVLIYYWADIDTILYFPFFKELYVDLGVLYLPFAVFVIVGSANAVNLTDGLDGLAIGPAMTTATALGVVAYAVGHSKIAQYLNIPYVPYAGELTVFCFALVGAGLGFLWFNSFPAQMFMGDVGSLSIGASLATVALLTKSEFIFAVAAGVFVFETISVILQIIYFRWTGGKRLFKRAPFHHHLELNGLPEPKIVVRMWIISILLAIIAISMLKLR
Protein #2 137 residues (91% resolved)

MVPDVQLQESGGGLVQTGGSLTLSCATSGRSFSLYAMAWFRQAPGKEREFVAGVSRRGNTAYADAVKGRFTISRDNAANTVYLQMTSLKPEDTAVYFCAAFRVAVTTYTSQQANEYNYWGQGTQVTVSSLEHHHHHH

MVPDVQLQESGGGLVQTGGSLTLSCATSGRSFSLYAMAWFRQAPGKEREFVAGVSRRGNTAYADAVKGRFTISRDNAANTVYLQMTSLKPEDTAVYFCAAFRVAVTTYTSQQANEYNYWGQGTQVTVSSLEHHHHHH
Non polymer #3 A1AI1

InChI=1S/C46H75N7O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-21-33(54)51-31(20-15-16-23-47)42(60)50-28-30-19-17-18-29(25-30)27-49-35(44(61)62)40(66-45-39(59)36(56)32(26-48)64-45)41-37(57)38(58)43(65-41)53-24-22-34(55)52-46(53)63/h17-19,22,24-25,31-32,35-41,43,45,49,56-59H,2-16,20-21,23,26-28,47-48H2,1H3,(H,50,60)(H,51,54)(H,61,62)(H,52,55,63)/t31-,32+,35-,36+,37-,38+,39+,40-,41-,43+,45-/m0/s1

CCCCCCCCCCCCCCCC(=O)N[C@@H](CCCCN)C(=O)NCc1cccc(c1)CN[C@@H]([C@@H]([C@@H]2[C@H]([C@H]([C@@H](O2)N3C=CC(=O)NC3=O)O)O)O[C@H]4[C@@H]([C@@H]([C@H](O4)CN)O)O)C(=O)O
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