Solution NMR structure of Dot1L in complex with AF9 (Dot1L-AF9).
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 91.8 % (1015 of 1106) | 90.2 % (516 of 572) | 93.8 % (410 of 437) | 91.8 % (89 of 97) |
Backbone | 97.1 % (542 of 558) | 96.8 % (181 of 187) | 97.1 % (272 of 280) | 97.8 % (89 of 91) |
Sidechain | 88.1 % (564 of 640) | 87.0 % (335 of 385) | 92.0 % (229 of 249) | 0.0 % (0 of 6) |
Aromatic | 87.1 % (54 of 62) | 90.3 % (28 of 31) | 83.9 % (26 of 31) | |
Methyl | 86.2 % (112 of 130) | 86.2 % (56 of 65) | 86.2 % (56 of 65) |
1. Protein AF-9
DKAYLDELVE LHRRLMTLRE RHILQQIVNL IEETGHFHIT NTTFDFDLCS LDKTTVRKLQ SYLETSGTS2. Dot1L Histone-lysine N-methyltransferase
TNKLPVSIPL ASVVLPSRAE RARSTSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz Cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 95 % |
Varian INOVA - 600 MHz Cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 95 % |
Varian INOVA - 600 MHz Cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 95 % |
Varian INOVA - 600 MHz Cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 95 % |
Varian INOVA - 600 MHz Cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 95 % |
Varian INOVA - 600 MHz Cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 95 % |
Varian INOVA - 600 MHz Cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 95 % |
Varian INOVA - 600 MHz Cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 95 % |
Varian INOVA - 600 MHz Cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 95 % |
Varian INOVA - 600 MHz Cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 95 % |
Varian INOVA - 600 MHz Cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 95 % |
Varian INOVA - 600 MHz Cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 95 % |
Varian INOVA - 600 MHz Cryoprobe
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
2 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | [U-100% 13C; U-100% 15N] | 750 uM | |
3 | Bis-Tris | natural abundance | 9.3 mM | |
4 | MES | natural abundance | 15.8 mM | |
5 | sodium chloride | natural abundance | 100 mM | |
6 | DTT | natural abundance | 1 mM | |
7 | D2O | natural abundance | 10 % | |
8 | H2O | natural abundance | 95 % |
Bruker Avance - 600 MHz Cryoprobe
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
10 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | [U-100% 13C; U-100% 15N] | 750 uM | |
11 | Bis-Tris | natural abundance | 9.3 mM | |
12 | MES | natural abundance | 15.8 mM | |
13 | sodium chloride | natural abundance | 100 mM | |
14 | DTT | natural abundance | 1 mM | |
15 | D2O | natural abundance | 10 % | |
16 | H2O | natural abundance | 95 % | |
17 | (3-acrylamidopropyl)-trimethylammonium chloride | natural abundance | 3.5 % | |
18 | acrylic acid | natural abundance | 3.5 % |
Bruker Avance - 600 MHz Cryoprobe
State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
19 | Protein AF-9 | [U-100% 13C; U-100% 15N] | 750 uM | |
20 | Histone-lysine N-methyltransferase, H3 lysine-79 specific | [U-100% 13C; U-100% 15N] | 750 uM | |
21 | Bis-Tris | natural abundance | 9.3 mM | |
22 | MES | natural abundance | 15.8 mM | |
23 | sodium chloride | natural abundance | 100 mM | |
24 | DTT | natural abundance | 1 mM | |
25 | D2O | natural abundance | 10 % | |
26 | H2O | natural abundance | 95 % | |
27 | (3-acrylamidopropyl)-trimethylammonium chloride | natural abundance | 3.5 % | |
28 | acrylamide | natural abundance | 3.5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19516_2mv7.nef |
Input source #2: Coordindates | 2mv7.cif |
Diamagnetism of the molecular assembly | True (excluding Oxygen atoms) |
Whether the assembly has a disulfide bond | None |
Whether the assembly has a other bond | None |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Warning |
Disulfide bonds
NoneOther bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneSequence alignments
500-----510-------520-------530-------540-------550-------560-------- DKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| DKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS --------10--------20--------30--------40--------50--------60---------
--880-------890-------900 TNKLPVSIPLASVVLPSRAERARST ||||||||||||||||||||||||| TNKLPVSIPLASVVLPSRAERARST --------10--------20-----
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 69 | 0 | 0 | 100.0 |
B | B | 25 | 0 | 0 | 100.0 |
Content subtype: combined_19516_2mv7.nef
Assigned chemical shifts
500-----510-------520-------530-------540-------550-------560-------- DKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| DKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS
--880-------890-------900 TNKLPVSIPLASVVLPSRAERARST ||||||||||||||||||||||||| TNKLPVSIPLASVVLPSRAERARST
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 326 | 309 | 94.8 |
1H chemical shifts | 426 | 386 | 90.6 |
15N chemical shifts | 79 | 68 | 86.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 138 | 137 | 99.3 |
1H chemical shifts | 140 | 138 | 98.6 |
15N chemical shifts | 69 | 68 | 98.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 188 | 172 | 91.5 |
1H chemical shifts | 286 | 248 | 86.7 |
15N chemical shifts | 10 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 47 | 39 | 83.0 |
1H chemical shifts | 47 | 41 | 87.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 31 | 26 | 83.9 |
1H chemical shifts | 31 | 28 | 90.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 111 | 105 | 94.6 |
1H chemical shifts | 146 | 136 | 93.2 |
15N chemical shifts | 26 | 21 | 80.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 50 | 46 | 92.0 |
1H chemical shifts | 47 | 45 | 95.7 |
15N chemical shifts | 22 | 21 | 95.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 61 | 59 | 96.7 |
1H chemical shifts | 99 | 91 | 91.9 |
15N chemical shifts | 4 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 19 | 17 | 89.5 |
1H chemical shifts | 19 | 17 | 89.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Distance restraints
500-----510-------520-------530-------540-------550-------560-------- DKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .KAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS
--880-------890-------900 TNKLPVSIPLASVVLPSRAERARST |||||||||||||||||||||||| .NKLPVSIPLASVVLPSRAERARST
Dihedral angle restraints
500-----510-------520-------530-------540-------550-------560-------- DKAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLETSGTS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .KAYLDELVELHRRLMTLRERHILQQIVNLIEETGHFHITNTTFDFDLCSLDKTTVRKLQSYLE 500-----510-------520-------530-------540-------550-------560---
--880-------890-------900 TNKLPVSIPLASVVLPSRAERARST |||||||||||||||| TNKLPVSIPLASVVLP --880-------890-