1H and 15N chemical shifts of NH groups in DHFR complexes with brodimoprim analogues 3-5, methotrexate and trimethoprim
TAFLWAQDRD GLIGKDGHLP WHLPDDLHYF RAQTVGKIMV VGRRTYESFP KRPLPERTNV VLTHQEDYQA QGAVVVHDVA AVFAYAKQHP DQELVIAGGA QIFTAFKDDV DTLLVTRLAG SFEGDTKMIP LNWDDFTKVS SRTVEDTNPA LTHTYEVWQK KA
Polymer type: polypeptide(L)
Total | 1H | 15N | |
---|---|---|---|
All | 30.0 % (342 of 1141) | 19.6 % (190 of 971) | 89.4 % (152 of 170) |
Backbone | 65.2 % (313 of 480) | 49.4 % (161 of 326) | 98.7 % (152 of 154) |
Sidechain | 4.4 % (29 of 661) | 4.5 % (29 of 645) | 0.0 % (0 of 16) |
Aromatic | 0.0 % (0 of 102) | 0.0 % (0 of 98) | 0.0 % (0 of 4) |
Methyl | 9.3 % (9 of 97) | 9.3 % (9 of 97) |
1. dihydrofolate reductase
TAFLWAQDRD GLIGKDGHLP WHLPDDLHYF RAQTVGKIMV VGRRTYESFP KRPLPERTNV VLTHQEDYQA QGAVVVHDVA AVFAYAKQHP DQELVIAGGA QIFTAFKDDV DTLLVTRLAG SFEGDTKMIP LNWDDFTKVS SRTVEDTNPA LTHTYEVWQK KA# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | dihydrofolate reductase | [U-15N] | 1 mM | |
2 | TRIMETHOPRIM | 0.0 ~ 0.0 mM | ||
3 | potassium phosphate | 50 mM | ||
4 | potassium chloride | 100 mM |