2024-06-22_00000324|ligand|9B71

Cryo-EM structure of MraY in complex with analogue 3; Electron microscopy 2.70Å
Protein #1 137 residues (91% resolved)

MVPDVQLQESGGGLVQTGGSLTLSCATSGRSFSLYAMAWFRQAPGKEREFVAGVSRRGNTAYADAVKGRFTISRDNAANTVYLQMTSLKPEDTAVYFCAAFRVAVTTYTSQQANEYNYWGQGTQVTVSSLEHHHHHH

MVPDVQLQESGGGLVQTGGSLTLSCATSGRSFSLYAMAWFRQAPGKEREFVAGVSRRGNTAYADAVKGRFTISRDNAANTVYLQMTSLKPEDTAVYFCAAFRVAVTTYTSQQANEYNYWGQGTQVTVSSLEHHHHHH
Protein #2 365 residues (93% resolved)

GPAVPRMLYQLALLLKDYWFAFNVLKYITFRSFTAVLIAFFLTLVLSPSFINRLRKIQRLFGGYVREYTPESHEVKKYTPTMGGIVILIVVTLSTLLLMRWDIKYTWVVLLSFLSFGTIGFWDDYVKLKNKKGISIKTKFLLQVLSASLISVLIYYWADIDTILYFPFFKELYVDLGVLYLPFAVFVIVGSANAVNLTDGLDGLAIGPAMTTATALGVVAYAVGHSKIAQYLNIPYVPYAGELTVFCFALVGAGLGFLWFNSFPAQMFMGDVGSLSIGASLATVALLTKSEFIFAVAAGVFVFETISVILQIIYFRWTGGKRLFKRAPFHHHLELNGLPEPKIVVRMWIISILLAIIAISMLKLR

GPAVPRMLYQLALLLKDYWFAFNVLKYITFRSFTAVLIAFFLTLVLSPSFINRLRKIQRLFGGYVREYTPESHEVKKYTPTMGGIVILIVVTLSTLLLMRWDIKYTWVVLLSFLSFGTIGFWDDYVKLKNKKGISIKTKFLLQVLSASLISVLIYYWADIDTILYFPFFKELYVDLGVLYLPFAVFVIVGSANAVNLTDGLDGLAIGPAMTTATALGVVAYAVGHSKIAQYLNIPYVPYAGELTVFCFALVGAGLGFLWFNSFPAQMFMGDVGSLSIGASLATVALLTKSEFIFAVAAGVFVFETISVILQIIYFRWTGGKRLFKRAPFHHHLELNGLPEPKIVVRMWIISILLAIIAISMLKLR
Non polymer #3 A1AI2

InChI=1S/C46H75N9O13/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-32(56)53-30(16-15-23-50-45(48)49)41(62)52-27-29-20-18-28(19-21-29)26-51-34(43(63)64)39(68-44-38(61)35(58)31(25-47)66-44)40-36(59)37(60)42(67-40)55-24-22-33(57)54-46(55)65/h18-22,24,30-31,34-40,42,44,51,58-61H,2-17,23,25-27,47H2,1H3,(H,52,62)(H,53,56)(H,63,64)(H4,48,49,50)(H,54,57,65)/t30-,31+,34-,35+,36-,37+,38+,39-,40-,42+,44-/m0/s1

[H]/N=C(N)/NCCC[C@@H](C(=O)NCc1ccc(cc1)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)NC(=O)CCCCCCCCCCCCCCC
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Reference