apo_FldB
MNMGLFYGSS TCYTEMAAEK IRDIIGPELV TLHNLKDDSP KLMEQYDVLI LGIPTWDFGE IQEDWEAVWD QLDDLNLEGK IVALYGLGDQ LGYGEWFLDA LGMLHDKLST KGVKFVGYWP TEGYEFTSPK PVIADGQLFV GLALDETNQY DLSDERIQSW CEQILNEMAE HYA
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 79.2 % (1611 of 2034) | 77.9 % (816 of 1047) | 79.0 % (633 of 801) | 87.1 % (162 of 186) |
Backbone | 92.0 % (944 of 1026) | 92.4 % (329 of 356) | 92.6 % (466 of 503) | 89.2 % (149 of 167) |
Sidechain | 69.8 % (813 of 1165) | 70.5 % (487 of 691) | 68.8 % (313 of 455) | 68.4 % (13 of 19) |
Aromatic | 5.1 % (11 of 216) | 8.3 % (9 of 108) | 2.0 % (2 of 102) | 0.0 % (0 of 6) |
Methyl | 86.1 % (167 of 194) | 85.6 % (83 of 97) | 86.6 % (84 of 97) |
1. entity
MNMGLFYGSS TCYTEMAAEK IRDIIGPELV TLHNLKDDSP KLMEQYDVLI LGIPTWDFGE IQEDWEAVWD QLDDLNLEGK IVALYGLGDQ LGYGEWFLDA LGMLHDKLST KGVKFVGYWP TEGYEFTSPK PVIADGQLFV GLALDETNQY DLSDERIQSW CEQILNEMAE HYASolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 30 mM |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | entity | [U-13C; U-15N] | 1 mM | |
4 | sodium phosphate | natural abundance | 30 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 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 30 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | entity | [U-13C; U-15N] | 1 mM | |
4 | sodium phosphate | natural abundance | 30 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | entity | [U-13C; U-15N] | 1 mM | |
4 | sodium phosphate | natural abundance | 30 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | entity | [U-13C; U-15N] | 1 mM | |
4 | sodium phosphate | natural abundance | 30 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | entity | [U-13C; U-15N] | 1 mM | |
4 | sodium phosphate | natural abundance | 30 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | entity | [U-13C; U-15N] | 1 mM | |
4 | sodium phosphate | natural abundance | 30 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | entity | [U-13C; U-15N] | 1 mM | |
4 | sodium phosphate | natural abundance | 30 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 30 mM |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
3 | entity | [U-13C; U-15N] | 1 mM | |
4 | sodium phosphate | natural abundance | 30 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_25155_2mtb.nef |
Input source #2: Coordindates | 2mtb.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 MNMGLFYGSSTCYTEMAAEKIRDIIGPELVTLHNLKDDSPKLMEQYDVLILGIPTWDFGEIQEDWEAVWDQLDDLNLEGKIVALYGLGDQLGYGEWFLDA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MNMGLFYGSSTCYTEMAAEKIRDIIGPELVTLHNLKDDSPKLMEQYDVLILGIPTWDFGEIQEDWEAVWDQLDDLNLEGKIVALYGLGDQLGYGEWFLDA -------110-------120-------130-------140-------150-------160-------170--- LGMLHDKLSTKGVKFVGYWPTEGYEFTSPKPVIADGQLFVGLALDETNQYDLSDERIQSWCEQILNEMAEHYA ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| LGMLHDKLSTKGVKFVGYWPTEGYEFTSPKPVIADGQLFVGLALDETNQYDLSDERIQSWCEQILNEMAEHYA
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 173 | 0 | 0 | 100.0 |
Content subtype: combined_25155_2mtb.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MNMGLFYGSSTCYTEMAAEKIRDIIGPELVTLHNLKDDSPKLMEQYDVLILGIPTWDFGEIQEDWEAVWDQLDDLNLEGKIVALYGLGDQLGYGEWFLDA ||||||||| |||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||| MNMGLFYGS.......AAEKIRDIIGPELVTLHNLKDDSPKLMEQYDVLILGIPTW.FGEIQEDWEAVWDQLDDLNLEGKIVALYGLGDQLGYGEWFLDA -------110-------120-------130-------140-------150-------160-------170--- LGMLHDKLSTKGVKFVGYWPTEGYEFTSPKPVIADGQLFVGLALDETNQYDLSDERIQSWCEQILNEMAEHYA ||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||| LGMLHDKLSTKGVKFVGYWPTEGYEFTSPKPVIADGQLFVGLALD.TNQYDLSDERIQSWCEQILNEMAEHYA
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
60 | GLU | CD | 174.38 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1047 | 785 | 75.0 |
13C chemical shifts | 801 | 622 | 77.7 |
15N chemical shifts | 188 | 160 | 85.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 356 | 326 | 91.6 |
13C chemical shifts | 346 | 317 | 91.6 |
15N chemical shifts | 167 | 146 | 87.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 691 | 459 | 66.4 |
13C chemical shifts | 455 | 305 | 67.0 |
15N chemical shifts | 21 | 14 | 66.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 103 | 82 | 79.6 |
13C chemical shifts | 103 | 82 | 79.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 108 | 0 | 0.0 |
13C chemical shifts | 102 | 0 | 0.0 |
15N chemical shifts | 6 | 0 | 0.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MNMGLFYGSSTCYTEMAAEKIRDIIGPELVTLHNLKDDSPKLMEQYDVLILGIPTWDFGEIQEDWEAVWDQLDDLNLEGKIVALYGLGDQLGYGEWFLDA ||||||||| | || ||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||||||| MNMGLFYGS.T.YT.MAAEKIRDIIGPELVTLHNLKDDSPKLMEQYDVLILGIPTW.FGEIQEDWEAVWDQLDDLNLEGKIVALYGLGDQLGYGEWFLDA -------110-------120-------130-------140-------150-------160-------170--- LGMLHDKLSTKGVKFVGYWPTEGYEFTSPKPVIADGQLFVGLALDETNQYDLSDERIQSWCEQILNEMAEHYA ||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||| LGMLHDKLSTKGVKFVGYWPTEGYEFTSPKPVIADGQLFVGLALD.TNQYDLSDERIQSWCEQILNEMAEHYA