Solution NMR structure of protein , Northeastprotein yxeF Structural Genomics Consortium target Sr500a
MIMVSGCQQQ KEETPFYYGT WDEGRAPGPT DGVKSATVTF TEDEVVETEV MEGRGEVQLP FMAYKVISQS TDGSIEIQYL GPYYPLKSTL KRGENGTLIW EQNGQRKTMT RIESKTGREE KDEKSKSLEH HHHHH
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 92.0 % (1447 of 1572) | 93.4 % (770 of 824) | 89.8 % (545 of 607) | 93.6 % (132 of 141) |
Backbone | 93.9 % (749 of 798) | 94.6 % (262 of 277) | 93.1 % (365 of 392) | 94.6 % (122 of 129) |
Sidechain | 90.7 % (813 of 896) | 92.9 % (508 of 547) | 87.5 % (295 of 337) | 83.3 % (10 of 12) |
Aromatic | 67.5 % (85 of 126) | 81.0 % (51 of 63) | 52.5 % (32 of 61) | 100.0 % (2 of 2) |
Methyl | 100.0 % (112 of 112) | 100.0 % (56 of 56) | 100.0 % (56 of 56) |
1. protein yxeF
MIMVSGCQQQ KEETPFYYGT WDEGRAPGPT DGVKSATVTF TEDEVVETEV MEGRGEVQLP FMAYKVISQS TDGSIEIQYL GPYYPLKSTL KRGENGTLIW EQNGQRKTMT RIESKTGREE KDEKSKSLEH HHHHHPressure 1 atm, Temperature 298 K, pH 6.5, Details 1mM protein Sr500a, 10mM Tris, 100mM NaCl, 0.02% NaN3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | Tris | 10 mM | ||
3 | NaCl | 100 % | ||
4 | NaN3 | 0.02 % |
Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1mM protein Sr500a, 10mM Tris, 100mM NaCl, 0.02% NaN3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | entity | [U-10% 13C; U-100% 15N] | 1 mM | |
6 | Tris | 10 mM | ||
7 | NaCl | 100 % | ||
8 | NaN3 | 0.02 % |
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, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1mM protein Sr500a, 10mM Tris, 100mM NaCl, 0.02% NaN3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | Tris | 10 mM | ||
3 | NaCl | 100 % | ||
4 | NaN3 | 0.02 % |
Varian INOVA - 750 MHz
State isotropic, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1mM protein Sr500a, 10mM Tris, 100mM NaCl, 0.02% NaN3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | Tris | 10 mM | ||
3 | NaCl | 100 % | ||
4 | NaN3 | 0.02 % |
Varian INOVA - 750 MHz
State isotropic, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1mM protein Sr500a, 10mM Tris, 100mM NaCl, 0.02% NaN3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | Tris | 10 mM | ||
3 | NaCl | 100 % | ||
4 | NaN3 | 0.02 % |
Varian INOVA - 750 MHz
State isotropic, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1mM protein Sr500a, 10mM Tris, 100mM NaCl, 0.02% NaN3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | Tris | 10 mM | ||
3 | NaCl | 100 % | ||
4 | NaN3 | 0.02 % |
Varian INOVA - 750 MHz
State isotropic, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1mM protein Sr500a, 10mM Tris, 100mM NaCl, 0.02% NaN3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | Tris | 10 mM | ||
3 | NaCl | 100 % | ||
4 | NaN3 | 0.02 % |
Varian INOVA - 750 MHz
State isotropic, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 1mM protein Sr500a, 10mM Tris, 100mM NaCl, 0.02% NaN3
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
5 | entity | [U-10% 13C; U-100% 15N] | 1 mM | |
6 | Tris | 10 mM | ||
7 | NaCl | 100 % | ||
8 | NaN3 | 0.02 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_15211_2joz.nef |
Input source #2: Coordindates | 2joz.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 MIMVSGCQQQKEETPFYYGTWDEGRAPGPTDGVKSATVTFTEDEVVETEVMEGRGEVQLPFMAYKVISQSTDGSIEIQYLGPYYPLKSTLKRGENGTLIW |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MIMVSGCQQQKEETPFYYGTWDEGRAPGPTDGVKSATVTFTEDEVVETEVMEGRGEVQLPFMAYKVISQSTDGSIEIQYLGPYYPLKSTLKRGENGTLIW -------110-------120-------130----- EQNGQRKTMTRIESKTGREEKDEKSKSLEHHHHHH ||||||||||||||||||||||||||||||||||| EQNGQRKTMTRIESKTGREEKDEKSKSLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 135 | 0 | 0 | 100.0 |
Content subtype: combined_15211_2joz.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MIMVSGCQQQKEETPFYYGTWDEGRAPGPTDGVKSATVTFTEDEVVETEVMEGRGEVQLPFMAYKVISQSTDGSIEIQYLGPYYPLKSTLKRGENGTLIW ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .IMVSGCQQQKEETPFYYGTWDEGRAPGPTDGVKSATVTFTEDEVVETEVMEGRGEVQLPFMAYKVISQSTDGSIEIQYLGPYYPLKSTLKRGENGTLIW --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130----- EQNGQRKTMTRIESKTGREEKDEKSKSLEHHHHHH ||||||||||||||||||||||||||||| EQNGQRKTMTRIESKTGREEKDEKSKSLE -------110-------120---------
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
64 | TYR | HH | 9.5 |
79 | TYR | HH | 9.34 |
88 | SER | HG | 3.86 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 824 | 771 | 93.6 |
13C chemical shifts | 607 | 542 | 89.3 |
15N chemical shifts | 147 | 131 | 89.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 277 | 263 | 94.9 |
13C chemical shifts | 270 | 249 | 92.2 |
15N chemical shifts | 129 | 122 | 94.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 547 | 508 | 92.9 |
13C chemical shifts | 337 | 293 | 86.9 |
15N chemical shifts | 18 | 9 | 50.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 61 | 56 | 91.8 |
13C chemical shifts | 61 | 56 | 91.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 63 | 51 | 81.0 |
13C chemical shifts | 61 | 30 | 49.2 |
15N chemical shifts | 2 | 2 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MIMVSGCQQQKEETPFYYGTWDEGRAPGPTDGVKSATVTFTEDEVVETEVMEGRGEVQLPFMAYKVISQSTDGSIEIQYLGPYYPLKSTLKRGENGTLIW || ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ...VS..QQQKEETPFYYGTWDEGRAPGPTDGVKSATVTFTEDEVVETEVMEGRGEVQLPFMAYKVISQSTDGSIEIQYLGPYYPLKSTLKRGENGTLIW --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130----- EQNGQRKTMTRIESKTGREEKDEKSKSLEHHHHHH |||||||||||||||||||||||||||| EQNGQRKTMTRIESKTGREEKDEKSKSL -------110-------120--------
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MIMVSGCQQQKEETPFYYGTWDEGRAPGPTDGVKSATVTFTEDEVVETEVMEGRGEVQLPFMAYKVISQSTDGSIEIQYLGPYYPLKSTLKRGENGTLIW |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..............PFYYGTWDEGRAPGPTDGVKSATVTFTEDEVVETEVMEGRGEVQLPFMAYKVISQSTDGSIEIQYLGPYYPLKSTLKRGENGTLIW --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130----- EQNGQRKTMTRIESKTGREEKDEKSKSLEHHHHHH ||||||||||||||||||||| EQNGQRKTMTRIESKTGREEK -------110-------120-