Solution NMR Structure of Protein FeoA from Clostridium thermocellum, Northeast Structural Genomics Consortium Target CmR17
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 96.4 % (918 of 952) | 95.6 % (476 of 498) | 96.8 % (360 of 372) | 100.0 % (82 of 82) |
Backbone | 97.3 % (469 of 482) | 95.8 % (160 of 167) | 97.5 % (230 of 236) | 100.0 % (79 of 79) |
Sidechain | 96.0 % (522 of 544) | 95.5 % (316 of 331) | 96.7 % (203 of 210) | 100.0 % (3 of 3) |
Aromatic | 81.5 % (44 of 54) | 85.2 % (23 of 27) | 77.8 % (21 of 27) | |
Methyl | 99.0 % (95 of 96) | 97.9 % (47 of 48) | 100.0 % (48 of 48) |
1. CmR17
MFSLRDAKCG QTVKVVKLHG TGALKRRIMD MGITRGCEIY IRKVAPLGDP IQINVRGYEL SLRKSAAEMI EVELEHHHHH HSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | [U-100% 2H] | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | entity | [U-10% 13C; U-100% 15N] | 1.2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | [U-100% 2H] | 10 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | null | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | null | indirect | 0.1013291 |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | entity | [U-10% 13C; U-100% 15N] | 1.2 mM | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | [U-100% 2H] | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | [U-100% 2H] | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | [U-100% 2H] | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | [U-100% 2H] | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | [U-100% 2H] | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | [U-100% 2H] | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | [U-100% 2H] | 10 % |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1.1 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | [U-100% 2H] | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_15841_2k5l.nef |
Input source #2: Coordindates | 2k5l.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- MFSLRDAKCGQTVKVVKLHGTGALKRRIMDMGITRGCEIYIRKVAPLGDPIQINVRGYELSLRKSAAEMIEVELEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MFSLRDAKCGQTVKVVKLHGTGALKRRIMDMGITRGCEIYIRKVAPLGDPIQINVRGYELSLRKSAAEMIEVELEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 81 | 0 | 0 | 100.0 |
Content subtype: combined_15841_2k5l.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80- MFSLRDAKCGQTVKVVKLHGTGALKRRIMDMGITRGCEIYIRKVAPLGDPIQINVRGYELSLRKSAAEMIEVELEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MFSLRDAKCGQTVKVVKLHGTGALKRRIMDMGITRGCEIYIRKVAPLGDPIQINVRGYELSLRKSAAEMIEVELEHHHHHH
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 498 | 490 | 98.4 |
13C chemical shifts | 372 | 363 | 97.6 |
15N chemical shifts | 89 | 82 | 92.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 167 | 166 | 99.4 |
13C chemical shifts | 162 | 159 | 98.1 |
15N chemical shifts | 79 | 79 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 331 | 324 | 97.9 |
13C chemical shifts | 210 | 204 | 97.1 |
15N chemical shifts | 10 | 3 | 30.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 52 | 52 | 100.0 |
13C chemical shifts | 52 | 52 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 27 | 27 | 100.0 |
13C chemical shifts | 27 | 21 | 77.8 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80- MFSLRDAKCGQTVKVVKLHGTGALKRRIMDMGITRGCEIYIRKVAPLGDPIQINVRGYELSLRKSAAEMIEVELEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MFSLRDAKCGQTVKVVKLHGTGALKRRIMDMGITRGCEIYIRKVAPLGDPIQINVRGYELSLRKSAAEMIEVELEH --------10--------20--------30--------40--------50--------60--------70------
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80- MFSLRDAKCGQTVKVVKLHGTGALKRRIMDMGITRGCEIYIRKVAPLGDPIQINVRGYELSLRKSAAEMIEVELEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MFSLRDAKCGQTVKVVKLHGTGALKRRIMDMGITRGCEIYIRKVAPLGDPIQINVRGYELSLRKSAAEMIEVELEHHHH --------10--------20--------30--------40--------50--------60--------70---------