NMR Structure of FeoA-like protein from Clostridium acetobutylicum: Northeast Structural Genomics Consortium Target CaR178
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 91.5 % (938 of 1025) | 91.8 % (494 of 538) | 90.8 % (366 of 403) | 92.9 % (78 of 84) |
Backbone | 92.4 % (471 of 510) | 93.8 % (166 of 177) | 91.2 % (228 of 250) | 92.8 % (77 of 83) |
Sidechain | 90.9 % (539 of 593) | 90.9 % (328 of 361) | 90.9 % (210 of 231) | 100.0 % (1 of 1) |
Aromatic | 50.0 % (20 of 40) | 60.0 % (12 of 20) | 40.0 % (8 of 20) | |
Methyl | 98.2 % (112 of 114) | 96.5 % (55 of 57) | 100.0 % (57 of 57) |
1. FeoA-like protein
MTKGIGLNEV EIKSKVKVIG IVPESKVRRK IMDMGIVRGT EIYIEGKAPM GDPIALRLRG YSLSLRKSEA KDILVEVLLE HHHHHHSolvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.91 mM |
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 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.91 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.91 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.91 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.91 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.91 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.91 mM |
Varian INOVA - 750 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.91 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_15812_2k4y.nef |
Input source #2: Coordindates | 2k4y.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------ MTKGIGLNEVEIKSKVKVIGIVPESKVRRKIMDMGIVRGTEIYIEGKAPMGDPIALRLRGYSLSLRKSEAKDILVEVLLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MTKGIGLNEVEIKSKVKVIGIVPESKVRRKIMDMGIVRGTEIYIEGKAPMGDPIALRLRGYSLSLRKSEAKDILVEVLLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 86 | 0 | 0 | 100.0 |
Content subtype: combined_15812_2k4y.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80------ MTKGIGLNEVEIKSKVKVIGIVPESKVRRKIMDMGIVRGTEIYIEGKAPMGDPIALRLRGYSLSLRKSEAKDILVEVLLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .TKGIGLNEVEIKSKVKVIGIVPESKVRRKIMDMGIVRGTEIYIEGKAPMGDPIALRLRGYSLSLRKSEAKDILVEVLLEHHH --------10--------20--------30--------40--------50--------60--------70--------80---
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 538 | 501 | 93.1 |
13C chemical shifts | 403 | 368 | 91.3 |
15N chemical shifts | 90 | 78 | 86.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 177 | 168 | 94.9 |
13C chemical shifts | 172 | 157 | 91.3 |
15N chemical shifts | 83 | 77 | 92.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 361 | 333 | 92.2 |
13C chemical shifts | 231 | 211 | 91.3 |
15N chemical shifts | 7 | 1 | 14.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 61 | 59 | 96.7 |
13C chemical shifts | 61 | 59 | 96.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 20 | 12 | 60.0 |
13C chemical shifts | 20 | 8 | 40.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80------ MTKGIGLNEVEIKSKVKVIGIVPESKVRRKIMDMGIVRGTEIYIEGKAPMGDPIALRLRGYSLSLRKSEAKDILVEVLLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..KGIGLNEVEIKSKVKVIGIVPESKVRRKIMDMGIVRGTEIYIEGKAPMGDPIALRLRGYSLSLRKSEAKDILVEVLLE --------10--------20--------30--------40--------50--------60--------70--------80
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80------ MTKGIGLNEVEIKSKVKVIGIVPESKVRRKIMDMGIVRGTEIYIEGKAPMGDPIALRLRGYSLSLRKSEAKDILVEVLLEHHHHHH |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .TKGIGLNEVEIKSKVKVIGIVPESKVRRKIMDMGIVRGTEIYIEGKAPMGDPIALRLRGYSLSLRKSEAKDILVEVLL --------10--------20--------30--------40--------50--------60--------70---------