Solution Structure Of Protein Nmul_A0922 From Nitrosospira multiformis. Northeast Structural Genomics Consortium Target Hr5524a.
MTFSECAALY IKAHRSSWKN TKHADQWTNT IKTYCGPVIG PLSVQDVDTK LIMKVLDPIW EQKPETASRL RGRIESVLDW ATVRGYREGD NPARWRGYLE HHHHHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 85.7 % (1081 of 1261) | 92.8 % (609 of 656) | 74.2 % (366 of 493) | 94.6 % (106 of 112) |
Backbone | 80.2 % (502 of 626) | 93.4 % (199 of 213) | 66.7 % (208 of 312) | 94.1 % (95 of 101) |
Sidechain | 91.4 % (672 of 735) | 92.6 % (410 of 443) | 89.3 % (251 of 281) | 100.0 % (11 of 11) |
Aromatic | 74.6 % (100 of 134) | 82.1 % (55 of 67) | 64.5 % (40 of 62) | 100.0 % (5 of 5) |
Methyl | 100.0 % (106 of 106) | 100.0 % (53 of 53) | 100.0 % (53 of 53) |
1. Nmul A0922
MTFSECAALY IKAHRSSWKN TKHADQWTNT IKTYCGPVIG PLSVQDVDTK LIMKVLDPIW EQKPETASRL RGRIESVLDW ATVRGYREGD NPARWRGYLE HHHHHHSolvent 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] | 0.9 mM | |
2 | H20 | natural abundance | 90.0 % | |
3 | D20 | natural abundance | 10.0 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
4 | entity | [U-5% 13C; U-100% 15N] | 1.0 mM | |
5 | H20 | natural abundance | 90.0 % | |
6 | D20 | natural abundance | 10.0 % |
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 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
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 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
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 |
31P | DSS | methyl protons | 0.0 ppm | na | indirect | 0.4048086 |
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] | 0.9 mM | |
2 | H20 | natural abundance | 90.0 % | |
3 | D20 | natural abundance | 10.0 % |
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] | 0.9 mM | |
2 | H20 | natural abundance | 90.0 % | |
3 | D20 | natural abundance | 10.0 % |
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-5% 13C; U-100% 15N] | 1.0 mM | |
5 | H20 | natural abundance | 90.0 % | |
6 | D20 | natural abundance | 10.0 % |
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] | 0.9 mM | |
2 | H20 | natural abundance | 90.0 % | |
3 | D20 | natural abundance | 10.0 % |
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] | 0.9 mM | |
2 | H20 | natural abundance | 90.0 % | |
3 | D20 | natural abundance | 10.0 % |
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] | 0.9 mM | |
2 | H20 | natural abundance | 90.0 % | |
3 | D20 | natural abundance | 10.0 % |
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] | 0.9 mM | |
2 | H20 | natural abundance | 90.0 % | |
3 | D20 | natural abundance | 10.0 % |
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] | 0.9 mM | |
2 | H20 | natural abundance | 90.0 % | |
3 | D20 | natural abundance | 10.0 % |
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] | 0.9 mM | |
2 | H20 | natural abundance | 90.0 % | |
3 | D20 | natural abundance | 10.0 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_16255_2khv.nef |
Input source #2: Coordindates | 2khv.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 MTFSECAALYIKAHRSSWKNTKHADQWTNTIKTYCGPVIGPLSVQDVDTKLIMKVLDPIWEQKPETASRLRGRIESVLDWATVRGYREGDNPARWRGYLE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MTFSECAALYIKAHRSSWKNTKHADQWTNTIKTYCGPVIGPLSVQDVDTKLIMKVLDPIWEQKPETASRLRGRIESVLDWATVRGYREGDNPARWRGYLE ------ HHHHHH |||||| HHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 106 | 0 | 0 | 100.0 |
Content subtype: combined_16255_2khv.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MTFSECAALYIKAHRSSWKNTKHADQWTNTIKTYCGPVIGPLSVQDVDTKLIMKVLDPIWEQKPETASRLRGRIESVLDWATVRGYREGDNPARWRGYLE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MTFSECAALYIKAHRSSWKNTKHADQWTNTIKTYCGPVIGPLSVQDVDTKLIMKVLDPIWEQKPETASRLRGRIESVLDWATVRGYREGDNPARWRGYLE --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ------ HHHHHH
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 656 | 613 | 93.4 |
13C chemical shifts | 493 | 353 | 71.6 |
15N chemical shifts | 120 | 107 | 89.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 213 | 200 | 93.9 |
13C chemical shifts | 212 | 100 | 47.2 |
15N chemical shifts | 101 | 94 | 93.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 443 | 413 | 93.2 |
13C chemical shifts | 281 | 253 | 90.0 |
15N chemical shifts | 19 | 13 | 68.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 55 | 55 | 100.0 |
13C chemical shifts | 55 | 55 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 67 | 55 | 82.1 |
13C chemical shifts | 62 | 40 | 64.5 |
15N chemical shifts | 5 | 5 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MTFSECAALYIKAHRSSWKNTKHADQWTNTIKTYCGPVIGPLSVQDVDTKLIMKVLDPIWEQKPETASRLRGRIESVLDWATVRGYREGDNPARWRGYLE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MTFSECAALYIKAHRSSWKNTKHADQWTNTIKTYCGPVIGPLSVQDVDTKLIMKVLDPIWEQKPETASRLRGRIESVLDWATVRGYREGDNPARWRGYLE --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ------ HHHHHH
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MTFSECAALYIKAHRSSWKNTKHADQWTNTIKTYCGPVIGPLSVQDVDTKLIMKVLDPIWEQKPETASRLRGRIESVLDWATVRGYREGDNPARWRGYLE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MTFSECAALYIKAHRSSWKNTKHADQWTNTIKTYCGPVIGPLSVQDVDTKLIMKVLDPIWEQKPETASRLRGRIESVLDWATVRGYREGDNPARWRGYL --------10--------20--------30--------40--------50--------60--------70--------80--------90--------- ------ HHHHHH