truncated EcMazE
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 88.3 % (689 of 780) | 88.0 % (358 of 407) | 88.4 % (268 of 303) | 90.0 % (63 of 70) |
Backbone | 89.6 % (355 of 396) | 88.8 % (119 of 134) | 90.4 % (179 of 198) | 89.1 % (57 of 64) |
Sidechain | 87.9 % (394 of 448) | 87.5 % (239 of 273) | 88.2 % (149 of 169) | 100.0 % (6 of 6) |
Aromatic | 29.5 % (13 of 44) | 31.8 % (7 of 22) | 23.8 % (5 of 21) | 100.0 % (1 of 1) |
Methyl | 98.7 % (75 of 76) | 97.4 % (37 of 38) | 100.0 % (38 of 38) |
1. truncEcMazE
NHKVHHHHHH MSDDDDKGIH SSVKRWGNSP AVRIPATLMQ ALNLNIDDEV KIDLVDGKLI IEPVRKESolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | truncEcMazE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
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 |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
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 |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
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 |
---|---|---|---|---|---|---|
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Varian VNMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | truncEcMazE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VNMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | truncEcMazE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VNMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | truncEcMazE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VNMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | truncEcMazE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VNMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | truncEcMazE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VNMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | truncEcMazE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VNMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | truncEcMazE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VNMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | truncEcMazE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VNMRS - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | truncEcMazE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VNMRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | truncEcMazE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VNMRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | truncEcMazE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian VNMRS - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | truncEcMazE | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_25086_2mrn.nef |
Input source #2: Coordindates | 2mrn.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 NHKVHHHHHHMSDDDDKGIHSSVKRWGNSPAVRIPATLMQALNLNIDDEVKIDLVDGKLIIEPVRKE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| NHKVHHHHHHMSDDDDKGIHSSVKRWGNSPAVRIPATLMQALNLNIDDEVKIDLVDGKLIIEPVRKE --------10--------20--------30--------40--------50--------60-------
-------------------------10--------20--------30--------40--------50 NHKVHHHHHHMSDDDDKGIHSSVKRWGNSPAVRIPATLMQALNLNIDDEVKIDLVDGKLIIEPVRKE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| NHKVHHHHHHMSDDDDKGIHSSVKRWGNSPAVRIPATLMQALNLNIDDEVKIDLVDGKLIIEPVRKE --------10--------20--------30--------40--------50--------60-------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 67 | 0 | 0 | 100.0 |
B | B | 67 | 0 | 0 | 100.0 |
Content subtype: combined_25086_2mrn.nef
Assigned chemical shifts
-------------------------10--------20--------30--------40--------50 NHKVHHHHHHMSDDDDKGIHSSVKRWGNSPAVRIPATLMQALNLNIDDEVKIDLVDGKLIIEPVRKE ||||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||| NHKVH....HMSDDDDKGIHSSVKRWGNSPAVRIPATLMQALNLNIDDEVKIDLVDGKLIIEPVRKE
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 407 | 362 | 88.9 |
13C chemical shifts | 303 | 269 | 88.8 |
15N chemical shifts | 73 | 65 | 89.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 134 | 121 | 90.3 |
13C chemical shifts | 134 | 120 | 89.6 |
15N chemical shifts | 64 | 57 | 89.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 273 | 241 | 88.3 |
13C chemical shifts | 169 | 149 | 88.2 |
15N chemical shifts | 9 | 8 | 88.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 40 | 40 | 100.0 |
13C chemical shifts | 40 | 40 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 22 | 7 | 31.8 |
13C chemical shifts | 21 | 5 | 23.8 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
-------------------------10--------20--------30--------40--------50 NHKVHHHHHHMSDDDDKGIHSSVKRWGNSPAVRIPATLMQALNLNIDDEVKIDLVDGKLIIEPVRKE | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...V......MSDDDDKGIHSSVKRWGNSPAVRIPATLMQALNLNIDDEVKIDLVDGKLIIEPVRKE
-------------------------10--------20--------30--------40--------50 NHKVHHHHHHMSDDDDKGIHSSVKRWGNSPAVRIPATLMQALNLNIDDEVKIDLVDGKLIIEPVRKE | ||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...V......MSDDDDKGIHSSVKRWGNSPAVRIPATLMQALNLNIDDEVKIDLVDGKLIIEPVRKE
Dihedral angle restraints
-------------------------10--------20--------30--------40--------50 NHKVHHHHHHMSDDDDKGIHSSVKRWGNSPAVRIPATLMQALNLNIDDEVKIDLVDGKLIIEPVRKE ||||| |||||||||||||||||||||||||||| |||||||||||||||| ...........SDDDD.GIHSSVKRWGNSPAVRIPATLMQALNLN......IDLVDGKLIIEPVRKE
-------------------------10--------20--------30--------40--------50 NHKVHHHHHHMSDDDDKGIHSSVKRWGNSPAVRIPATLMQALNLNIDDEVKIDLVDGKLIIEPVRKE ||||| |||||||||||||||||||||||||||| |||||||||||||||| ...........SDDDD.GIHSSVKRWGNSPAVRIPATLMQALNLN......IDLVDGKLIIEPVRKE