Solution structure of protein SRU_2040 from Salinibacter ruber (strain DSM 13855). Northeast Structural Genomics Consortium target SrR106
MKTTPDILDQ IRVHGADAYP EEGCGFLLGT VTDDGDNRVA ALHRATNRRS EQRTRRYELT ADDYRAADAA AQEQGLDVVG VYHSHPDHPA RPSATDLEEA TFPGFTYVIV SVRDGAPEAL TAWALAPDRS EFHREDIVRP DPEAPLEHHH HHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 81.6 % (1365 of 1673) | 87.5 % (753 of 861) | 71.8 % (476 of 663) | 91.3 % (136 of 149) |
Backbone | 78.7 % (705 of 896) | 89.5 % (272 of 304) | 67.6 % (304 of 450) | 90.8 % (129 of 142) |
Sidechain | 86.0 % (792 of 921) | 86.4 % (481 of 557) | 85.2 % (304 of 357) | 100.0 % (7 of 7) |
Aromatic | 68.6 % (96 of 140) | 80.0 % (56 of 70) | 56.5 % (39 of 69) | 100.0 % (1 of 1) |
Methyl | 95.6 % (151 of 158) | 94.9 % (75 of 79) | 96.2 % (76 of 79) |
1. SRU 2040
MKTTPDILDQ IRVHGADAYP EEGCGFLLGT VTDDGDNRVA ALHRATNRRS EQRTRRYELT ADDYRAADAA AQEQGLDVVG VYHSHPDHPA RPSATDLEEA TFPGFTYVIV SVRDGAPEAL TAWALAPDRS EFHREDIVRP DPEAPLEHHH HHHSolvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5, Details 1X Protease Inhibitors
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.7 mM | |
2 | MES | natural abundance | 20 mM | |
3 | NACL | natural abundance | 100 mM | |
4 | CaCl2 | natural abundance | 5.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 5 % | |
7 | D2O | natural abundance | 10 % | |
8 | Protease Inhibitors | natural abundance |
Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5, Details 1X Protease Inhibitors
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | entity | [U-5% 13C; U-99% 15N] | 1.0 mM | |
10 | MES | natural abundance | 20 mM | |
11 | NACL | natural abundance | 100 mM | |
12 | CaCl2 | natural abundance | 5.0 mM | |
13 | DTT | natural abundance | 10 mM | |
14 | NaN3 | natural abundance | 5 % | |
15 | D2O | natural abundance | 5 % | |
16 | Protease Inhibitors | natural abundance |
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 - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5, Details 1X Protease Inhibitors
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.7 mM | |
2 | MES | natural abundance | 20 mM | |
3 | NACL | natural abundance | 100 mM | |
4 | CaCl2 | natural abundance | 5.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 5 % | |
7 | D2O | natural abundance | 10 % | |
8 | Protease Inhibitors | natural abundance |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5, Details 1X Protease Inhibitors
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.7 mM | |
2 | MES | natural abundance | 20 mM | |
3 | NACL | natural abundance | 100 mM | |
4 | CaCl2 | natural abundance | 5.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 5 % | |
7 | D2O | natural abundance | 10 % | |
8 | Protease Inhibitors | natural abundance |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5, Details 1X Protease Inhibitors
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.7 mM | |
2 | MES | natural abundance | 20 mM | |
3 | NACL | natural abundance | 100 mM | |
4 | CaCl2 | natural abundance | 5.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 5 % | |
7 | D2O | natural abundance | 10 % | |
8 | Protease Inhibitors | natural abundance |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5, Details 1X Protease Inhibitors
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.7 mM | |
2 | MES | natural abundance | 20 mM | |
3 | NACL | natural abundance | 100 mM | |
4 | CaCl2 | natural abundance | 5.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 5 % | |
7 | D2O | natural abundance | 10 % | |
8 | Protease Inhibitors | natural abundance |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5, Details 1X Protease Inhibitors
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.7 mM | |
2 | MES | natural abundance | 20 mM | |
3 | NACL | natural abundance | 100 mM | |
4 | CaCl2 | natural abundance | 5.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 5 % | |
7 | D2O | natural abundance | 10 % | |
8 | Protease Inhibitors | natural abundance |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5, Details 1X Protease Inhibitors
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.7 mM | |
2 | MES | natural abundance | 20 mM | |
3 | NACL | natural abundance | 100 mM | |
4 | CaCl2 | natural abundance | 5.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 5 % | |
7 | D2O | natural abundance | 10 % | |
8 | Protease Inhibitors | natural abundance |
Varian INOVA - 750 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5, Details 1X Protease Inhibitors
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.7 mM | |
2 | MES | natural abundance | 20 mM | |
3 | NACL | natural abundance | 100 mM | |
4 | CaCl2 | natural abundance | 5.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 5 % | |
7 | D2O | natural abundance | 10 % | |
8 | Protease Inhibitors | natural abundance |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5, Details 1X Protease Inhibitors
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.7 mM | |
2 | MES | natural abundance | 20 mM | |
3 | NACL | natural abundance | 100 mM | |
4 | CaCl2 | natural abundance | 5.0 mM | |
5 | DTT | natural abundance | 10 mM | |
6 | NaN3 | natural abundance | 5 % | |
7 | D2O | natural abundance | 10 % | |
8 | Protease Inhibitors | natural abundance |
Varian INOVA - 600 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1.0 atm, Temperature 298 K, pH 6.5, Details 1X Protease Inhibitors
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
9 | entity | [U-5% 13C; U-99% 15N] | 1.0 mM | |
10 | MES | natural abundance | 20 mM | |
11 | NACL | natural abundance | 100 mM | |
12 | CaCl2 | natural abundance | 5.0 mM | |
13 | DTT | natural abundance | 10 mM | |
14 | NaN3 | natural abundance | 5 % | |
15 | D2O | natural abundance | 5 % | |
16 | Protease Inhibitors | natural abundance |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16093_2kcq.nef |
Input source #2: Coordindates | 2kcq.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 MKTTPDILDQIRVHGADAYPEEGCGFLLGTVTDDGDNRVAALHRATNRRSEQRTRRYELTADDYRAADAAAQEQGLDVVGVYHSHPDHPARPSATDLEEA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MKTTPDILDQIRVHGADAYPEEGCGFLLGTVTDDGDNRVAALHRATNRRSEQRTRRYELTADDYRAADAAAQEQGLDVVGVYHSHPDHPARPSATDLEEA -------110-------120-------130-------140-------150--- TFPGFTYVIVSVRDGAPEALTAWALAPDRSEFHREDIVRPDPEAPLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||||||||| TFPGFTYVIVSVRDGAPEALTAWALAPDRSEFHREDIVRPDPEAPLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 153 | 0 | 0 | 100.0 |
Content subtype: combined_16093_2kcq.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MKTTPDILDQIRVHGADAYPEEGCGFLLGTVTDDGDNRVAALHRATNRRSEQRTRRYELTADDYRAADAAAQEQGLDVVGVYHSHPDHPARPSATDLEEA ||||||||||||||||||||||||||||||||||||||||||||||| ||||| ||||||||||||||||||||||||||||||||||||| MKTTPDILDQIRVHGADAYPEEGCGFLLGTVTDDGDNRVAALHRATN..SEQRT.........YRAADAAAQEQGLDVVGVYHSHPDHPARPSATDLEEA --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150--- TFPGFTYVIVSVRDGAPEALTAWALAPDRSEFHREDIVRPDPEAPLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||| TFPGFTYVIVSVRDGAPEALTAWALAPDRSEFHREDIVRPDPEAPLE -------110-------120-------130-------140-------
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
3 | THR | HG1 | 5.07 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 861 | 742 | 86.2 |
13C chemical shifts | 663 | 431 | 65.0 |
15N chemical shifts | 163 | 131 | 80.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 304 | 269 | 88.5 |
13C chemical shifts | 306 | 136 | 44.4 |
15N chemical shifts | 142 | 124 | 87.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 557 | 473 | 84.9 |
13C chemical shifts | 357 | 295 | 82.6 |
15N chemical shifts | 21 | 7 | 33.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 80 | 76 | 95.0 |
13C chemical shifts | 80 | 76 | 95.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 70 | 54 | 77.1 |
13C chemical shifts | 69 | 37 | 53.6 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MKTTPDILDQIRVHGADAYPEEGCGFLLGTVTDDGDNRVAALHRATNRRSEQRTRRYELTADDYRAADAAAQEQGLDVVGVYHSHPDHPARPSATDLEEA ||||||||||||||||||||||||||||||||||||||||||||||| ||||| ||||||||||||||||||||||||||||||||||||| MKTTPDILDQIRVHGADAYPEEGCGFLLGTVTDDGDNRVAALHRATN..SEQRT.........YRAADAAAQEQGLDVVGVYHSHPDHPARPSATDLEEA --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150--- TFPGFTYVIVSVRDGAPEALTAWALAPDRSEFHREDIVRPDPEAPLEHHHHHH ||||||||||||||||||||||||||||||||||||||||||||||| TFPGFTYVIVSVRDGAPEALTAWALAPDRSEFHREDIVRPDPEAPLE -------110-------120-------130-------140-------
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MKTTPDILDQIRVHGADAYPEEGCGFLLGTVTDDGDNRVAALHRATNRRSEQRTRRYELTADDYRAADAAAQEQGLDVVGVYHSHPDHPARPSATDLEEA |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MKTTPDILDQIRVHGADAYPEEGCGFLLGTVTDDGDNRVAALHRATNRRSEQRTRRYELTADDYRAADAAAQEQGLDVVGVYHSHPDHPARPSATDLEEA --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130-------140-------150--- TFPGFTYVIVSVRDGAPEALTAWALAPDRSEFHREDIVRPDPEAPLEHHHHHH ||||||||||||| ||||||||| |||| |||| TFPGFTYVIVSVR....EALTAWALA....EFHR.DIVR -------110-------120-------130---------