ChemComp-IM2 / (5R)-5-[(1S,2R)-1-formyl-2-hydroxypropyl]-3-[(2-{[(E)-iminomethyl]amino}ethyl)sulfanyl]-4,5-dihydro-1H-pyrrole-2-carboxylicacid / IMIPENEM, open form / N-FORMIMIDOYL-THIENAMYCINE, open form
1H-15N- HMQC OPTIMIZED FOR IMIDAZOLE RING OF HISTIDINES
7
7
1
HNCO
8
8
1
HN(CA)CB
9
9
1
1H- 13C-HSQC CENTERED ON AROMATICS
10
10
1
13C-HSQC-NOESY CENTERED ON AROMATICS
NMR実験の詳細
Text: THE 20 NMR STRUCTURES WERE DETERMINED USING TRIPLE- RESONANCE NMR SPECTROSCOPY ON A 13C, 15N-LABELED LDTBS SAMPLE INCUBATED WITH 2.5 EQUIVALENTS OF IMIPENEM ANTIBIOTIC. THESE STRUCTURES WERE ...Text: THE 20 NMR STRUCTURES WERE DETERMINED USING TRIPLE- RESONANCE NMR SPECTROSCOPY ON A 13C, 15N-LABELED LDTBS SAMPLE INCUBATED WITH 2.5 EQUIVALENTS OF IMIPENEM ANTIBIOTIC. THESE STRUCTURES WERE REFINED WITH RDCS, AND REFINED IN WATER WITHIN CNS ARIA.