Solution NMR structure of the N-terminal myb-like 1 domain of the human cyclin-D-binding transcription factor 1 (hDMP1). Northeast Structural Genomics Consortium (NESG) target ID hr8011a.
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 72.8 % (609 of 837) | 72.7 % (319 of 439) | 72.5 % (232 of 320) | 74.4 % (58 of 78) |
Backbone | 75.5 % (329 of 436) | 75.7 % (115 of 152) | 75.0 % (159 of 212) | 76.4 % (55 of 72) |
Sidechain | 70.7 % (330 of 467) | 71.1 % (204 of 287) | 70.7 % (123 of 174) | 50.0 % (3 of 6) |
Aromatic | 31.4 % (22 of 70) | 34.3 % (12 of 35) | 29.4 % (10 of 34) | 0.0 % (0 of 1) |
Methyl | 92.9 % (52 of 56) | 92.9 % (26 of 28) | 92.9 % (26 of 28) |
1. entity 1
MHHHHHHSSG RENLYFQGDR NHVGKYTPEE IEKLKELRIK HGNDWATIGA ALGRSASSVK DRCRLMKDTC NTGSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity 1 | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | NaCl | natural abundance | 400 mM | |
4 | ZnSO4 | natural abundance | 0.01 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | NaN3 | natural abundance | 0.01 % | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity 1 | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | NaCl | natural abundance | 400 mM | |
4 | ZnSO4 | natural abundance | 0.01 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | NaN3 | natural abundance | 0.01 % | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity 1 | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | NaCl | natural abundance | 400 mM | |
4 | ZnSO4 | natural abundance | 0.01 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | NaN3 | natural abundance | 0.01 % | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity 1 | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | NaCl | natural abundance | 400 mM | |
4 | ZnSO4 | natural abundance | 0.01 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | NaN3 | natural abundance | 0.01 % | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity 1 | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | NaCl | natural abundance | 400 mM | |
4 | ZnSO4 | natural abundance | 0.01 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | NaN3 | natural abundance | 0.01 % | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity 1 | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | NaCl | natural abundance | 400 mM | |
4 | ZnSO4 | natural abundance | 0.01 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | NaN3 | natural abundance | 0.01 % | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity 1 | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | NaCl | natural abundance | 400 mM | |
4 | ZnSO4 | natural abundance | 0.01 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | NaN3 | natural abundance | 0.01 % | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity 1 | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | NaCl | natural abundance | 400 mM | |
4 | ZnSO4 | natural abundance | 0.01 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | NaN3 | natural abundance | 0.01 % | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity 1 | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | NaCl | natural abundance | 400 mM | |
4 | ZnSO4 | natural abundance | 0.01 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | NaN3 | natural abundance | 0.01 % | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity 1 | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | NaCl | natural abundance | 400 mM | |
4 | ZnSO4 | natural abundance | 0.01 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | NaN3 | natural abundance | 0.01 % | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity 1 | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | NaCl | natural abundance | 400 mM | |
4 | ZnSO4 | natural abundance | 0.01 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | NaN3 | natural abundance | 0.01 % | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity 1 | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | NaCl | natural abundance | 400 mM | |
4 | ZnSO4 | natural abundance | 0.01 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | NaN3 | natural abundance | 0.01 % | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity 1 | [U-13C; U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 10 mM | |
3 | NaCl | natural abundance | 400 mM | |
4 | ZnSO4 | natural abundance | 0.01 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | benzamidine | natural abundance | 1 mM | |
7 | NaN3 | natural abundance | 0.01 % | |
8 | H2O | natural abundance | 95 % | |
9 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18051_2llk.nef |
Input source #2: Coordindates | 2llk.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
------210-------220-------230-------240-------250-------260-------270---- MHHHHHHSSGRENLYFQGDRNHVGKYTPEEIEKLKELRIKHGNDWATIGAALGRSASSVKDRCRLMKDTCNTG ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MHHHHHHSSGRENLYFQGDRNHVGKYTPEEIEKLKELRIKHGNDWATIGAALGRSASSVKDRCRLMKDTCNTG --------10--------20--------30--------40--------50--------60--------70---
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 73 | 0 | 0 | 100.0 |
Content subtype: combined_18051_2llk.nef
Assigned chemical shifts
------210-------220-------230-------240-------250-------260-------270---- MHHHHHHSSGRENLYFQGDRNHVGKYTPEEIEKLKELRIKHGNDWATIGAALGRSASSVKDRCRLMKDTCNTG ||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..................DRNHVGKYTPEEIEKLKELRIKHGNDWATIGAALGRSASSVKDRCRLMKDTCNTG
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 439 | 318 | 72.4 |
13C chemical shifts | 320 | 230 | 71.9 |
15N chemical shifts | 84 | 57 | 67.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 152 | 114 | 75.0 |
13C chemical shifts | 146 | 107 | 73.3 |
15N chemical shifts | 72 | 54 | 75.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 287 | 204 | 71.1 |
13C chemical shifts | 174 | 123 | 70.7 |
15N chemical shifts | 12 | 3 | 25.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 30 | 27 | 90.0 |
13C chemical shifts | 30 | 27 | 90.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 35 | 12 | 34.3 |
13C chemical shifts | 34 | 10 | 29.4 |
15N chemical shifts | 1 | 0 | 0.0 |
Distance restraints
------210-------220-------230-------240-------250-------260-------270---- MHHHHHHSSGRENLYFQGDRNHVGKYTPEEIEKLKELRIKHGNDWATIGAALGRSASSVKDRCRLMKDTCNTG ||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..................DRNHVGKYTPEEIEKLKELRIKHGNDWATIGAALGRSASSVKDRCRLMKDTCNTG
Dihedral angle restraints
------210-------220-------230-------240-------250-------260-------270---- MHHHHHHSSGRENLYFQGDRNHVGKYTPEEIEKLKELRIKHGNDWATIGAALGRSASSVKDRCRLMKDTCNTG ||||||||||||||||| ||||||||||||||||||||||| .........................YTPEEIEKLKELRIKHG.DWATIGAALGRSASSVKDRCRLM ------210-------220-------230-------240-------250-------260-------