Solution NMR Structure of protein of unknown function yegP from E. coli. Ontario Center for Structural Proteomics target EC0640_1_123 Northeast Structural Genomics Consortium Target ET102.
GVIMAGWFEL SKSSDNQFRF VLKAGNGETI LTSELYTSKT SAEKGIASVR SNSPQEERYE KKTASNGKFY FNLKAANHQI IGSSQMYATA QSRETGIASV KANGTSQTVK DNTGSN
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 90.0 % (1175 of 1305) | 90.3 % (611 of 677) | 89.1 % (443 of 497) | 92.4 % (121 of 131) |
Backbone | 97.1 % (674 of 694) | 97.9 % (236 of 241) | 96.4 % (326 of 338) | 97.4 % (112 of 115) |
Sidechain | 84.2 % (604 of 717) | 86.0 % (375 of 436) | 83.0 % (220 of 265) | 56.3 % (9 of 16) |
Aromatic | 57.1 % (56 of 98) | 71.4 % (35 of 49) | 41.7 % (20 of 48) | 100.0 % (1 of 1) |
Methyl | 100.0 % (106 of 106) | 100.0 % (53 of 53) | 100.0 % (53 of 53) |
1. protein of unkown function yegP from E.coli
GVIMAGWFEL SKSSDNQFRF VLKAGNGETI LTSELYTSKT SAEKGIASVR SNSPQEERYE KKTASNGKFY FNLKAANHQI IGSSQMYATA QSRETGIASV KANGTSQTVK DNTGSNSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EC0640 | [U-100% 13C; U-100% 15N] | 0.4-0.7 mM | |
2 | tris | 10 mM | ||
3 | NaCl | 300 mM | ||
4 | benzamidine | 1 mM | ||
5 | NaN3 | 0.01 % |
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 |
Bruker Avance - 800 MHz Cryoprobe TCI 5mm
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EC0640 | [U-100% 13C; U-100% 15N] | 0.4-0.7 mM | |
2 | tris | 10 mM | ||
3 | NaCl | 300 mM | ||
4 | benzamidine | 1 mM | ||
5 | NaN3 | 0.01 % |
Bruker Avance - 800 MHz Cryoprobe TCI 5mm
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EC0640 | [U-100% 13C; U-100% 15N] | 0.4-0.7 mM | |
2 | tris | 10 mM | ||
3 | NaCl | 300 mM | ||
4 | benzamidine | 1 mM | ||
5 | NaN3 | 0.01 % |
Bruker Avance - 600 MHz Cryoprobe TCI 5mm
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EC0640 | [U-100% 13C; U-100% 15N] | 0.4-0.7 mM | |
2 | tris | 10 mM | ||
3 | NaCl | 300 mM | ||
4 | benzamidine | 1 mM | ||
5 | NaN3 | 0.01 % |
Bruker Avance - 600 MHz Cryoprobe TCI 5mm
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EC0640 | [U-100% 13C; U-100% 15N] | 0.4-0.7 mM | |
2 | tris | 10 mM | ||
3 | NaCl | 300 mM | ||
4 | benzamidine | 1 mM | ||
5 | NaN3 | 0.01 % |
Bruker Avance - 600 MHz Cryoprobe TCI 5mm
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EC0640 | [U-100% 13C; U-100% 15N] | 0.4-0.7 mM | |
2 | tris | 10 mM | ||
3 | NaCl | 300 mM | ||
4 | benzamidine | 1 mM | ||
5 | NaN3 | 0.01 % |
Bruker Avance - 600 MHz Cryoprobe TCI 5mm
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EC0640 | [U-100% 13C; U-100% 15N] | 0.4-0.7 mM | |
2 | tris | 10 mM | ||
3 | NaCl | 300 mM | ||
4 | benzamidine | 1 mM | ||
5 | NaN3 | 0.01 % |
Bruker Avance - 600 MHz Cryoprobe TCI 5mm
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EC0640 | [U-100% 13C; U-100% 15N] | 0.4-0.7 mM | |
2 | tris | 10 mM | ||
3 | NaCl | 300 mM | ||
4 | benzamidine | 1 mM | ||
5 | NaN3 | 0.01 % |
Bruker Avance - 800 MHz Cryoprobe TCI 5mm
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EC0640 | [U-100% 13C; U-100% 15N] | 0.4-0.7 mM | |
2 | tris | 10 mM | ||
3 | NaCl | 300 mM | ||
4 | benzamidine | 1 mM | ||
5 | NaN3 | 0.01 % |
Bruker Avance - 800 MHz Cryoprobe TCI 5mm
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EC0640 | [U-100% 13C; U-100% 15N] | 0.4-0.7 mM | |
2 | tris | 10 mM | ||
3 | NaCl | 300 mM | ||
4 | benzamidine | 1 mM | ||
5 | NaN3 | 0.01 % |
Bruker Avance - 800 MHz Cryoprobe TCI 5mm
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | EC0640 | [U-100% 13C; U-100% 15N] | 0.4-0.7 mM | |
2 | tris | 10 mM | ||
3 | NaCl | 300 mM | ||
4 | benzamidine | 1 mM | ||
5 | NaN3 | 0.01 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_15943_2k8e.nef |
Input source #2: Coordindates | 2k8e.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 QGHMLFSIHNFNQGVIMAGWFELSKSSDNQFRFVLKAGNGETILTSELYTSKTSAEKGIASVRSNSPQEERYEKKTASNGKFYFNLKAANHQIIGSSQMY |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| QGHMLFSIHNFNQGVIMAGWFELSKSSDNQFRFVLKAGNGETILTSELYTSKTSAEKGIASVRSNSPQEERYEKKTASNGKFYFNLKAANHQIIGSSQMY -------110-------120-------130 ATAQSRETGIASVKANGTSQTVKDNTGSNN |||||||||||||||||||||||||||||| ATAQSRETGIASVKANGTSQTVKDNTGSNN
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 130 | 0 | 0 | 100.0 |
Content subtype: combined_15943_2k8e.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 QGHMLFSIHNFNQGVIMAGWFELSKSSDNQFRFVLKAGNGETILTSELYTSKTSAEKGIASVRSNSPQEERYEKKTASNGKFYFNLKAANHQIIGSSQMY ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .............GVIMAGWFELSKSSDNQFRFVLKAGNGETILTSELYTSKTSAEKGIASVRSNSPQEERYEKKTASNGKFYFNLKAANHQIIGSSQMY --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130 ATAQSRETGIASVKANGTSQTVKDNTGSNN ||||||||||||||||||||||||||||| ATAQSRETGIASVKANGTSQTVKDNTGSN -------110-------120---------
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 769 | 604 | 78.5 |
13C chemical shifts | 562 | 440 | 78.3 |
15N chemical shifts | 154 | 120 | 77.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 270 | 235 | 87.0 |
13C chemical shifts | 260 | 222 | 85.4 |
15N chemical shifts | 129 | 112 | 86.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 499 | 369 | 73.9 |
13C chemical shifts | 302 | 218 | 72.2 |
15N chemical shifts | 25 | 8 | 32.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 60 | 53 | 88.3 |
13C chemical shifts | 60 | 53 | 88.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 63 | 35 | 55.6 |
13C chemical shifts | 62 | 20 | 32.3 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 QGHMLFSIHNFNQGVIMAGWFELSKSSDNQFRFVLKAGNGETILTSELYTSKTSAEKGIASVRSNSPQEERYEKKTASNGKFYFNLKAANHQIIGSSQMY ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .............GVIMAGWFELSKSSDNQFRFVLKAGNGETILTSELYTSKTSAEKGIASVRSNSPQEERYEKKTASNGKFYFNLKAANHQIIGSSQMY --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130 ATAQSRETGIASVKANGTSQTVKDNTGSNN ||||||||||||||||||||||||||||| ATAQSRETGIASVKANGTSQTVKDNTGSN -------110-------120---------
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 QGHMLFSIHNFNQGVIMAGWFELSKSSDNQFRFVLKAGNGETILTSELYTSKTSAEKGIASVRSNSPQEERYEKKTASNGKFYFNLKAANHQIIGSSQMY ||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||| .............GVIMAGWFELSKSSDNQFRFVLKAGNGETILTSELYTSKTSAEKGIASVRSNS.QEERYEKKTASNGKFYFNLKAANHQIIGSSQMY --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130 ATAQSRETGIASVKANGTSQTVKDNTGSNN ||||||||||||||||| |||||||||| ATAQSRETGIASVKANG..QTVKDNTGSN -------110-------120---------