Solution NMR structure of N-terminal domain (6-74) of human ZBP1 protein, Northeast Structural Genomics Consortium Target HR8174A.
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 88.6 % (825 of 931) | 89.0 % (435 of 489) | 87.8 % (316 of 360) | 90.2 % (74 of 82) |
Backbone | 89.1 % (419 of 470) | 88.8 % (143 of 161) | 89.3 % (209 of 234) | 89.3 % (67 of 75) |
Sidechain | 88.4 % (473 of 535) | 89.0 % (292 of 328) | 87.0 % (174 of 200) | 100.0 % (7 of 7) |
Aromatic | 42.3 % (22 of 52) | 46.2 % (12 of 26) | 36.0 % (9 of 25) | 100.0 % (1 of 1) |
Methyl | 100.0 % (82 of 82) | 100.0 % (41 of 41) | 100.0 % (41 of 41) |
1. N-terminal domain (6-74) of human ZBP1 protein
MGHHHHHHSH MADPGREGHL EQRILQVLTE AGSPVKLAQL VKECQAPKRE LNQVLYRMKK ELKVSLTSPA TWCLGGTDPESolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminal domain (6-74) of human ZBP1 protein | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | calcium chloride | natural abundance | 5 (±0.25) mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | N-terminal domain (6-74) of human ZBP1 protein | [U-5% 13C; U-100% 15N] | 1.00 (±0.1) mM | |
8 | MES | natural abundance | 20 (±1.0) mM | |
9 | sodium chloride | natural abundance | 100 (±5.0) mM | |
10 | DTT | natural abundance | 10 (±0.5) mM | |
11 | sodium azide | natural abundance | 0.02 (±0.001) % | |
12 | calcium chloride | natural abundance | 5 (±0.25) mM |
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 - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminal domain (6-74) of human ZBP1 protein | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | calcium chloride | natural abundance | 5 (±0.25) mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminal domain (6-74) of human ZBP1 protein | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | calcium chloride | natural abundance | 5 (±0.25) mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminal domain (6-74) of human ZBP1 protein | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | calcium chloride | natural abundance | 5 (±0.25) mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminal domain (6-74) of human ZBP1 protein | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | calcium chloride | natural abundance | 5 (±0.25) mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminal domain (6-74) of human ZBP1 protein | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | calcium chloride | natural abundance | 5 (±0.25) mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminal domain (6-74) of human ZBP1 protein | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | calcium chloride | natural abundance | 5 (±0.25) mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminal domain (6-74) of human ZBP1 protein | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | calcium chloride | natural abundance | 5 (±0.25) mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | N-terminal domain (6-74) of human ZBP1 protein | [U-5% 13C; U-100% 15N] | 1.00 (±0.1) mM | |
8 | MES | natural abundance | 20 (±1.0) mM | |
9 | sodium chloride | natural abundance | 100 (±5.0) mM | |
10 | DTT | natural abundance | 10 (±0.5) mM | |
11 | sodium azide | natural abundance | 0.02 (±0.001) % | |
12 | calcium chloride | natural abundance | 5 (±0.25) mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminal domain (6-74) of human ZBP1 protein | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | calcium chloride | natural abundance | 5 (±0.25) mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminal domain (6-74) of human ZBP1 protein | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | calcium chloride | natural abundance | 5 (±0.25) mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminal domain (6-74) of human ZBP1 protein | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | calcium chloride | natural abundance | 5 (±0.25) mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminal domain (6-74) of human ZBP1 protein | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | calcium chloride | natural abundance | 5 (±0.25) mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminal domain (6-74) of human ZBP1 protein | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | calcium chloride | natural abundance | 5 (±0.25) mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminal domain (6-74) of human ZBP1 protein | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | calcium chloride | natural abundance | 5 (±0.25) mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminal domain (6-74) of human ZBP1 protein | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | calcium chloride | natural abundance | 5 (±0.25) mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminal domain (6-74) of human ZBP1 protein | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | calcium chloride | natural abundance | 5 (±0.25) mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminal domain (6-74) of human ZBP1 protein | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | calcium chloride | natural abundance | 5 (±0.25) mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminal domain (6-74) of human ZBP1 protein | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | calcium chloride | natural abundance | 5 (±0.25) mM |
Bruker Avance - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | N-terminal domain (6-74) of human ZBP1 protein | [U-100% 13C; U-100% 15N] | 1.0 (±0.1) mM | |
2 | MES | natural abundance | 20 (±1.0) mM | |
3 | sodium chloride | natural abundance | 100 (±5.0) mM | |
4 | DTT | natural abundance | 10 (±0.5) mM | |
5 | sodium azide | natural abundance | 0.02 (±0.001) % | |
6 | calcium chloride | natural abundance | 5 (±0.25) mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_18158_2lnb.nef |
Input source #2: Coordindates | 2lnb.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
--------10--------20--------30--------40--------50--------60--------70--------80 MGHHHHHHSHMADPGREGHLEQRILQVLTEAGSPVKLAQLVKECQAPKRELNQVLYRMKKELKVSLTSPATWCLGGTDPE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MGHHHHHHSHMADPGREGHLEQRILQVLTEAGSPVKLAQLVKECQAPKRELNQVLYRMKKELKVSLTSPATWCLGGTDPE
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 80 | 0 | 0 | 100.0 |
Content subtype: combined_18158_2lnb.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80 MGHHHHHHSHMADPGREGHLEQRILQVLTEAGSPVKLAQLVKECQAPKRELNQVLYRMKKELKVSLTSPATWCLGGTDPE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .........HMADPGREGHLEQRILQVLTEAGSPVKLAQLVKECQAPKRELNQVLYRMKKELKVSLTSPATWCLGGTDPE
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
16 | ARG | CZ | 160.1 |
22 | GLN | CD | 180.0 |
23 | ARG | CZ | 159.6 |
26 | GLN | CD | 180.2 |
39 | GLN | CD | 179.4 |
52 | ASN | CG | 174.2 |
53 | GLN | CD | 180.0 |
57 | ARG | CZ | 159.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 489 | 433 | 88.5 |
13C chemical shifts | 360 | 309 | 85.8 |
15N chemical shifts | 86 | 75 | 87.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 161 | 141 | 87.6 |
13C chemical shifts | 160 | 136 | 85.0 |
15N chemical shifts | 75 | 65 | 86.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 328 | 292 | 89.0 |
13C chemical shifts | 200 | 173 | 86.5 |
15N chemical shifts | 11 | 10 | 90.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 44 | 42 | 95.5 |
13C chemical shifts | 44 | 42 | 95.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 26 | 11 | 42.3 |
13C chemical shifts | 25 | 9 | 36.0 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80 MGHHHHHHSHMADPGREGHLEQRILQVLTEAGSPVKLAQLVKECQAPKRELNQVLYRMKKELKVSLTSPATWCLGGTDPE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..........MADPGREGHLEQRILQVLTEAGSPVKLAQLVKECQAPKRELNQVLYRMKKELKVSLTSPATWCLGGTDPE
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80 MGHHHHHHSHMADPGREGHLEQRILQVLTEAGSPVKLAQLVKECQAPKRELNQVLYRMKKELKVSLTSPATWCLGGTDPE |||||||||||||||||| |||||||||||| ||||||||||||||| ||||||||||||| ..............GREGHLEQRILQVLTEAG.PVKLAQLVKECQ.PKRELNQVLYRMKKE.KVSLTSPATWCLG --------10--------20--------30--------40--------50--------60--------70-----