NMR structure of the E. coli protein NPr, residues 1-85
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 78.9 % (756 of 958) | 71.3 % (352 of 494) | 84.7 % (316 of 373) | 96.7 % (88 of 91) |
Backbone | 94.1 % (476 of 506) | 91.3 % (158 of 173) | 95.2 % (238 of 250) | 96.4 % (80 of 83) |
Sidechain | 67.3 % (358 of 532) | 60.4 % (194 of 321) | 76.8 % (156 of 203) | 100.0 % (8 of 8) |
Aromatic | 0.0 % (0 of 34) | 0.0 % (0 of 17) | 0.0 % (0 of 17) | |
Methyl | 80.7 % (92 of 114) | 70.2 % (40 of 57) | 91.2 % (52 of 57) |
1. entity 1
MTVKQTVEIT NKLGMHARPA MKLFELMQGF DAEVLLRNDE GTEAEANSVI ALLMLDSAKG RQIEVEATGP QEEEALAAVI ALFNSSolvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details 1 mM [U-13C; U-15N] NPr, 25 mM Tris, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NPr | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Varian INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details 1 mM [U-13C; U-15N] NPr, 25 mM Tris, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NPr | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details 1 mM [U-13C; U-15N] NPr, 25 mM Tris, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NPr | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details 1 mM [U-13C; U-15N] NPr, 25 mM Tris, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NPr | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details 1 mM [U-13C; U-15N] NPr, 25 mM Tris, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NPr | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details 1 mM [U-13C; U-15N] NPr, 25 mM Tris, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NPr | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details 1 mM [U-13C; U-15N] NPr, 25 mM Tris, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NPr | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details 1 mM [U-13C; U-15N] NPr, 25 mM Tris, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NPr | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details 1 mM [U-13C; U-15N] NPr, 25 mM Tris, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NPr | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details 1 mM [U-13C; U-15N] NPr, 25 mM Tris, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NPr | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details 1 mM [U-13C; U-15N] NPr, 25 mM Tris, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NPr | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details 1 mM [U-13C; U-15N] NPr, 25 mM Tris, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NPr | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM |
Varian INOVA - 600 MHz
State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, Temperature 308 K, pH 7, Details 1 mM [U-13C; U-15N] NPr, 25 mM Tris, 93% H2O/7% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | NPr | [U-13C; U-15N] | 1 mM | |
2 | Tris | natural abundance | 25 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_30157_5t17.nef |
Input source #2: Coordindates | 5t17.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----- MTVKQTVEITNKLGMHARPAMKLFELMQGFDAEVLLRNDEGTEAEANSVIALLMLDSAKGRQIEVEATGPQEEEALAAVIALFNS ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MTVKQTVEITNKLGMHARPAMKLFELMQGFDAEVLLRNDEGTEAEANSVIALLMLDSAKGRQIEVEATGPQEEEALAAVIALFNS
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 85 | 0 | 0 | 100.0 |
Content subtype: combined_30157_5t17.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80----- MTVKQTVEITNKLGMHARPAMKLFELMQGFDAEVLLRNDEGTEAEANSVIALLMLDSAKGRQIEVEATGPQEEEALAAVIALFNS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .TVKQTVEITNKLGMHARPAMKLFELMQGFDAEVLLRNDEGTEAEANSVIALLMLDSAKGRQIEVEATGPQEEEALAAVIALFNS
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 494 | 345 | 69.8 |
13C chemical shifts | 373 | 312 | 83.6 |
15N chemical shifts | 94 | 88 | 93.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 173 | 160 | 92.5 |
13C chemical shifts | 170 | 159 | 93.5 |
15N chemical shifts | 83 | 80 | 96.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 321 | 185 | 57.6 |
13C chemical shifts | 203 | 153 | 75.4 |
15N chemical shifts | 11 | 8 | 72.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 62 | 36 | 58.1 |
13C chemical shifts | 62 | 50 | 80.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 17 | 0 | 0.0 |
13C chemical shifts | 17 | 0 | 0.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80----- MTVKQTVEITNKLGMHARPAMKLFELMQGFDAEVLLRNDEGTEAEANSVIALLMLDSAKGRQIEVEATGPQEEEALAAVIALFNS ||||| ||||| ||| |||||||||| ||||||||| | ||||||||||||| || |||||||||||||||||||||||| ..VKQTV.ITNKL.MHA.PAMKLFELMQ.FDAEVLLRN...T.AEANSVIALLMLD.AK.RQIEVEATGPQEEEALAAVIALFN --------10--------20--------30--------40--------50--------60--------70--------80----
--------10--------20--------30--------40--------50--------60--------70--------80----- MTVKQTVEITNKLGMHARPAMKLFELMQGFDAEVLLRNDEGTEAEANSVIALLMLDSAKGRQIEVEATGPQEEEALAAVIALFNS |||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .TVKQTVEITNKLGMHA.PAMKLFELMQGFDAEVLLRNDEGTEAEANSVIALLMLDSAKGRQIEVEATGPQEEEALAAVIALFNS
--------10--------20--------30--------40--------50--------60--------70--------80----- MTVKQTVEITNKLGMHARPAMKLFELMQGFDAEVLLRNDEGTEAEANSVIALLMLDSAKGRQIEVEATGPQEEEALAAVIALFNS | | | | |||||||||||| | |||| | | |||||||| || |||||| ||||||||||||| ..V.Q.V.I.......ARPAMKLFELMQ....E.LLRN...T.A....VIALLMLD...GR.IEVEAT...EEEALAAVIALFN --------10--------20--------30--------40--------50--------60--------70--------80----
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80----- MTVKQTVEITNKLGMHARPAMKLFELMQGFDAEVLLRNDEGTEAEANSVIALLMLDSAKGRQIEVEATGPQEEEALAAVIALFNS ||||||||| ||||||||||||||||||||||||||||| |||||||||| ||||||||| ||||||||||||| .TVKQTVEIT.......RPAMKLFELMQGFDAEVLLRNDEGTEAEA.SVIALLMLDS...RQIEVEATG.QEEEALAAVIALF --------10--------20--------30--------40--------50--------60--------70--------80---