NMR structure of the protein YP_193882.1 from Lactobacillus acidophilus NCFM in presence of FMN
GMAKKTLILY YSWSGETKKM AEKINSEIKD SELKEVKVSE GTFDADMYKT SDIALDQIQG NKDFPEIQLD NIDYNNYDLI LIGSPVWSGY PATPIKTLLD QMKNYRGEVA SFFTSAGTNH KAYVSHFNEW ADGLNVIGVA RDDSEVDKWS K
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 92.6 % (1641 of 1772) | 94.1 % (864 of 918) | 89.3 % (616 of 690) | 98.2 % (161 of 164) |
Backbone | 96.1 % (863 of 898) | 96.8 % (298 of 308) | 95.0 % (421 of 443) | 98.0 % (144 of 147) |
Sidechain | 90.4 % (918 of 1015) | 92.8 % (566 of 610) | 86.3 % (335 of 388) | 100.0 % (17 of 17) |
Aromatic | 53.5 % (91 of 170) | 62.4 % (53 of 85) | 42.0 % (34 of 81) | 100.0 % (4 of 4) |
Methyl | 98.7 % (150 of 152) | 100.0 % (76 of 76) | 97.4 % (74 of 76) |
1. entity
GMAKKTLILY YSWSGETKKM AEKINSEIKD SELKEVKVSE GTFDADMYKT SDIALDQIQG NKDFPEIQLD NIDYNNYDLI LIGSPVWSGY PATPIKTLLD QMKNYRGEVA SFFTSAGTNH KAYVSHFNEW ADGLNVIGVA RDDSEVDKWS KSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
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 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Bruker Avance - 800 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-98% 15N] | 1.2 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | sodium azide | natural abundance | 5 mM | |
5 | H2O | natural abundance | 95 % | |
6 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_25342_2mwm.nef |
Input source #2: Coordindates | 2mwm.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--------90-------100 GMAKKTLILYYSWSGETKKMAEKINSEIKDSELKEVKVSEGTFDADMYKTSDIALDQIQGNKDFPEIQLDNIDYNNYDLILIGSPVWSGYPATPIKTLLD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GMAKKTLILYYSWSGETKKMAEKINSEIKDSELKEVKVSEGTFDADMYKTSDIALDQIQGNKDFPEIQLDNIDYNNYDLILIGSPVWSGYPATPIKTLLD -------110-------120-------130-------140-------150- QMKNYRGEVASFFTSAGTNHKAYVSHFNEWADGLNVIGVARDDSEVDKWSK ||||||||||||||||||||||||||||||||||||||||||||||||||| QMKNYRGEVASFFTSAGTNHKAYVSHFNEWADGLNVIGVARDDSEVDKWSK
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 151 | 0 | 0 | 100.0 |
Content subtype: combined_25342_2mwm.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GMAKKTLILYYSWSGETKKMAEKINSEIKDSELKEVKVSEGTFDADMYKTSDIALDQIQGNKDFPEIQLDNIDYNNYDLILIGSPVWSGYPATPIKTLLD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..AKKTLILYYSWSGETKKMAEKINSEIKDSELKEVKVSEGTFDADMYKTSDIALDQIQGNKDFPEIQLDNIDYNNYDLILIGSPVWSGYPATPIKTLLD -------110-------120-------130-------140-------150- QMKNYRGEVASFFTSAGTNHKAYVSHFNEWADGLNVIGVARDDSEVDKWSK ||||||||||||||||||||||||||||||||||||||||||||||||||| QMKNYRGEVASFFTSAGTNHKAYVSHFNEWADGLNVIGVARDDSEVDKWSK
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 918 | 866 | 94.3 |
13C chemical shifts | 690 | 607 | 88.0 |
15N chemical shifts | 166 | 161 | 97.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 308 | 301 | 97.7 |
13C chemical shifts | 302 | 275 | 91.1 |
15N chemical shifts | 147 | 144 | 98.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 610 | 565 | 92.6 |
13C chemical shifts | 388 | 332 | 85.6 |
15N chemical shifts | 19 | 17 | 89.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 80 | 79 | 98.8 |
13C chemical shifts | 80 | 77 | 96.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 85 | 53 | 62.4 |
13C chemical shifts | 81 | 33 | 40.7 |
15N chemical shifts | 4 | 4 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GMAKKTLILYYSWSGETKKMAEKINSEIKDSELKEVKVSEGTFDADMYKTSDIALDQIQGNKDFPEIQLDNIDYNNYDLILIGSPVWSGYPATPIKTLLD |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..AKKTLILYYSWSGETKKMAEKINSEIKDSELKEVKVSEGTFDADMYKTSDIALDQIQGNKDFPEIQLDNIDYNNYDLILIGSPVWSGYPATPIKTLLD -------110-------120-------130-------140-------150- QMKNYRGEVASFFTSAGTNHKAYVSHFNEWADGLNVIGVARDDSEVDKWSK ||||||||||||||||||||||||||||||||||||||||||||||||||| QMKNYRGEVASFFTSAGTNHKAYVSHFNEWADGLNVIGVARDDSEVDKWSK