Reduced and CO-bound cytochrome P450cam (CYP101A1)
TETIQSNANL APLPPHVPEH LVFDFDMYNP SNLSAGVQEA WAVLQESNVP DLVWTRCNGG HWIATRGQLI REAYEDYRHF SSECPFIPRE AGEAYDFIPT SMDPPEQRQF RALANQVVGM PVVDKLENRI QELACSLIES LRPQGQCNFT EDYAEPFPIR IFMLLAGLPE EDIPHLKYLT DQMTRPDGSM TFAEAKEALY DYLIPIIEQR RQKPGTDAIS IVANGQVNGR PITSDEAKRM CGLLLVGGLD TVVNFLSFSM EFLAKSPEHR QELIERPERI PAACEELLRR FSLVADGRIL TSDYEFHGVQ LKKGDQILLP QMLSGLDERE NACPMHVDFS RQKVSHTTFG HGSHLCLGQH LARREIIVTL KEWLTRIPDF SIAPGAQIQH KSGIVSGVQA LPLVWDPATT KAV
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 34.9 % (1685 of 4822) | 24.5 % (616 of 2512) | 39.8 % (750 of 1886) | 75.2 % (319 of 424) |
Backbone | 58.1 % (1405 of 2418) | 48.2 % (396 of 821) | 57.3 % (696 of 1214) | 81.7 % (313 of 383) |
Sidechain | 20.5 % (571 of 2792) | 13.1 % (221 of 1691) | 32.4 % (343 of 1060) | 17.1 % (7 of 41) |
Aromatic | 2.7 % (10 of 364) | 3.8 % (7 of 182) | 0.0 % (0 of 177) | 60.0 % (3 of 5) |
Methyl | 22.4 % (105 of 468) | 19.7 % (46 of 234) | 25.2 % (59 of 234) |
1. entity 1
TETIQSNANL APLPPHVPEH LVFDFDMYNP SNLSAGVQEA WAVLQESNVP DLVWTRCNGG HWIATRGQLI REAYEDYRHF SSECPFIPRE AGEAYDFIPT SMDPPEQRQF RALANQVVGM PVVDKLENRI QELACSLIES LRPQGQCNFT EDYAEPFPIR IFMLLAGLPE EDIPHLKYLT DQMTRPDGSM TFAEAKEALY DYLIPIIEQR RQKPGTDAIS IVANGQVNGR PITSDEAKRM CGLLLVGGLD TVVNFLSFSM EFLAKSPEHR QELIERPERI PAACEELLRR FSLVADGRIL TSDYEFHGVQ LKKGDQILLP QMLSGLDERE NACPMHVDFS RQKVSHTTFG HGSHLCLGQH LARREIIVTL KEWLTRIPDF SIAPGAQIQH KSGIVSGVQA LPLVWDPATT KAVSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.4 (±0.1), Details 0.4 mM reduced-CO-bound CYP101A1, 3 mM CAM, pH 7.4 TrisHCl buffer, 100 mM KCl
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | cytochrome P450cam | [U-100% 13C; U-100% 15N; U-80% 2H] | 0.4 (±0.03) mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | CYP101A1 | natural abundance | 0.4 mM | |
5 | CAM | natural abundance | 3 mM | |
6 | KCl | natural abundance | 100 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.4 (±0.1), Details Same as sample_1, except 5% nematic phase C12E5/hexanol added for alignment
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | cytochrome P450cam | [U-15N] | 0.4 (±0.02) mM | |
8 | H2O | natural abundance | 90 % | |
9 | D2O | natural abundance | 10 % | |
10 | CYP101A1 | natural abundance | 0.4 mM | |
11 | CAM | natural abundance | 3 mM | |
12 | KCl | natural abundance | 100 mM | |
13 | C12E5/hexanol | natural abundance | 5 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 (±0.1) K, pH 7.4 (±0.1), Details Same as sample_1, except 8 mg/mL pf1 phage added
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
14 | cytochrome P450cam | [U-15N] | 0.4 (±0.02) mM | |
15 | H2O | natural abundance | 90 % | |
16 | D2O | natural abundance | 10 % | |
17 | CYP101A1 | natural abundance | 0.4 mM | |
18 | CAM | natural abundance | 3 mM | |
19 | KCl | natural abundance | 100 mM | |
20 | pf1 | natural abundance | 8 mg/mL |