Solution structure of the THAP zinc finger of THAP1 in complex with its DNA target
ID | Type | Value order | Atom ID 1 | Atom ID 2 |
---|---|---|---|---|
1 | na | sing | 1:CYS5:SG | 3:ZN1:ZN |
2 | na | sing | 1:CYS10:SG | 3:ZN1:ZN |
3 | na | sing | 1:CYS54:SG | 3:ZN1:ZN |
4 | na | sing | 1:HIS57:HE2 | 3:ZN1:ZN |
Polymer type: polypeptide(L) polydeoxyribonucleotide
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 70.1 % (974 of 1389) | 60.6 % (536 of 885) | 85.1 % (355 of 417) | 95.4 % (83 of 87) |
Backbone | 67.3 % (493 of 732) | 42.9 % (168 of 392) | 95.0 % (247 of 260) | 97.5 % (78 of 80) |
Sidechain | 76.2 % (566 of 743) | 74.6 % (368 of 493) | 79.4 % (193 of 243) | 71.4 % (5 of 7) |
Aromatic | 36.9 % (62 of 168) | 37.9 % (44 of 116) | 33.3 % (17 of 51) | 100.0 % (1 of 1) |
Methyl | 89.0 % (65 of 73) | 84.6 % (33 of 39) | 94.1 % (32 of 34) |
1. THAP domain
MVQSCSAYGC KNRYDKDKPV SFHKFPLTRP SLCKEWEAAV RRKNFKPTKY SSICSEHFTP DSFKRESNNK LLKENAVPTI FLELVPR2. RRM1
GCTTGTGTGG GCAGCGCGCT GCCCACACAA GCSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 296 K, pH 6.8, Details 15N13C uniformly labelled THAP domain and unlabelled DNA (protein:DNA 1:1 at 1mM)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | THAP domain | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | RRM1 | natural abundance | 1 mM | |
3 | D2O | natural abundance | 10 % | |
4 | H2O | natural abundance | 90 % | |
5 | NaCl | natural abundance | 30 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 296 K, pH 6.8, Details Unlabelled DNA and protein
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | THAP domain | natural abundance | 1 mM | |
7 | RRM1 | natural abundance | 1 mM | |
8 | D2O | natural abundance | 10 % | |
9 | H2O | natural abundance | 90 % | |
10 | NaCl | natural abundance | 30 mM |
Polymer type: polypeptide(L) polydeoxyribonucleotide
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 49.8 % (1383 of 2778) | 50.1 % (886 of 1770) | 48.0 % (400 of 834) | 55.7 % (97 of 174) |
Backbone | 52.6 % (770 of 1464) | 50.1 % (393 of 784) | 54.8 % (285 of 520) | 57.5 % (92 of 160) |
Sidechain | 48.0 % (713 of 1486) | 50.1 % (494 of 986) | 44.0 % (214 of 486) | 35.7 % (5 of 14) |
Aromatic | 39.6 % (133 of 336) | 48.3 % (112 of 232) | 19.6 % (20 of 102) | 50.0 % (1 of 2) |
Methyl | 51.4 % (75 of 146) | 51.3 % (40 of 78) | 51.5 % (35 of 68) |
1. THAP domain
MVQSCSAYGC KNRYDKDKPV SFHKFPLTRP SLCKEWEAAV RRKNFKPTKY SSICSEHFTP DSFKRESNNK LLKENAVPTI FLELVPR2. RRM1
GCTTGTGTGG GCAGCGCGCT GCCCACACAA GCSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 296 K, pH 6.8, Details 15N13C uniformly labelled THAP domain and unlabelled DNA (protein:DNA 1:1 at 1mM)
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | THAP domain | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | RRM1 | natural abundance | 1 mM | |
3 | D2O | natural abundance | 10 % | |
4 | H2O | natural abundance | 90 % | |
5 | NaCl | natural abundance | 30 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 296 K, pH 6.8, Details Unlabelled DNA and protein
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | THAP domain | natural abundance | 1 mM | |
7 | RRM1 | natural abundance | 1 mM | |
8 | D2O | natural abundance | 10 % | |
9 | H2O | natural abundance | 90 % | |
10 | NaCl | natural abundance | 30 mM |