NMR2 structure of BRD4-BD2 in complex with iBET-762
SEQLKCCSGI LKEMFAKKHA AYAWPFYKPV DVEALGLHDY CDIIKHPMDM STIKSKLEAR EYRDAQEFGA DVRLMFSNCY KYNPPDHEVV AMARKLQDVF EMRFAKMPD
Polymer type: polypeptide(L)
Total | 1H | 13C | |
---|---|---|---|
All | 2.2 % (27 of 1208) | 1.7 % (12 of 691) | 2.9 % (15 of 517) |
Backbone | 1.7 % (9 of 539) | 0.9 % (2 of 215) | 2.2 % (7 of 324) |
Sidechain | 2.7 % (21 of 775) | 2.1 % (10 of 476) | 3.7 % (11 of 299) |
Aromatic | 0.0 % (0 of 135) | 0.0 % (0 of 68) | 0.0 % (0 of 67) |
Methyl | 18.5 % (17 of 92) | 17.4 % (8 of 46) | 19.6 % (9 of 46) |
1. entity 1
SEQLKCCSGI LKEMFAKKHA AYAWPFYKPV DVEALGLHDY CDIIKHPMDM STIKSKLEAR EYRDAQEFGA DVRLMFSNCY KYNPPDHEVV AMARKLQDVF EMRFAKMPDSolvent system 100% D2O, Pressure 1 bar, Temperature 298 K, pH 6.7, Details 350 uM U-[12C,2H],U-15N,[13C,1H]-Ile-d1, [13C,1H]-Leu-d1/2, [13C,1H]-Val-g1/2 ILV-BRD4-BD2, 50 mM Na2HPO4, 500 uM [U-2H] TCEP, 420 uM iBET-762, 100 % [U-2H] D2O, 100% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | ILV-BRD4-BD2 | U-[12C,2H],U-15N,[13C,1H]-Ile-d1, [13C,1H]-Leu-d1/2, [13C,1H]-Val-g1/2 | 350 uM | |
2 | Na2HPO4 | none | 50 mM | |
3 | TCEP | [U-2H] | 500 uM | |
4 | iBET-762 | none | 420 uM | |
5 | D2O | [U-2H] | 100 % |