Structure of C-terminal domain of Ska1
MNDIRIVPQI TDEEFKTIPK YQLGRLTLEM MNEIVSKMDD FLMKKSKILG KTNKQLTRSD REVLDNWREL EMKARKRLPT TLFFIETDIR PMLQDRLRPS FAKAIPCLRH IRRIREERCG PLTFYYPGSS
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 80.9 % (1322 of 1634) | 75.4 % (657 of 871) | 86.6 % (547 of 632) | 90.1 % (118 of 131) |
Backbone | 96.3 % (736 of 764) | 95.3 % (244 of 256) | 96.9 % (374 of 386) | 96.7 % (118 of 122) |
Sidechain | 71.2 % (709 of 996) | 67.3 % (414 of 615) | 79.3 % (295 of 372) | 0.0 % (0 of 9) |
Aromatic | 60.0 % (60 of 100) | 72.0 % (36 of 50) | 49.0 % (24 of 49) | 0.0 % (0 of 1) |
Methyl | 96.3 % (131 of 136) | 98.5 % (67 of 68) | 94.1 % (64 of 68) |
1. Ska1-MTBD
MNDIRIVPQI TDEEFKTIPK YQLGRLTLEM MNEIVSKMDD FLMKKSKILG KTNKQLTRSD REVLDNWREL EMKARKRLPT TLFFIETDIR PMLQDRLRPS FAKAIPCLRH IRRIREERCG PLTFYYPGSSSolvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ska1-MTBD | [U-100% 15N ILV-Methyl 13C] | 0.800 mM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | NaCl | natural abundance | 150 mM | |
4 | DTT | natural abundance | 1.5 mM | |
5 | H2O | natural abundance | 55 mM | |
6 | sodium azide | natural abundance | 0.0001 mM | |
7 | D2O | natural abundance | 100 % |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Ska1-MTBD | [U-100% 13C; U-100% 15N] | 0.800 mM | |
9 | potassium phosphate | natural abundance | 20 mM | |
10 | NaCl | natural abundance | 150 mM | |
11 | DTT | natural abundance | 1.5 mM | |
12 | H2O | natural abundance | 55 mM | |
13 | sodium azide | natural abundance | 0.00001 mM | |
14 | H2O | natural abundance | 95 % | |
15 | D2O | natural abundance | 5 % |
Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | Ska1-MTBD | [U-100% 15N; ILV-Methyl 13C] | 0.800 mM | |
17 | potassium phosphate | natural abundance | 20 mM | |
18 | NaCl | natural abundance | 150 mM | |
19 | DTT | natural abundance | 1.5 mM | |
20 | H2O | natural abundance | 55 mM | |
21 | sodium azide | natural abundance | 0.00001 mM | |
22 | H2O | natural abundance | 95 % | |
23 | D2O | natural abundance | 5 % |
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 |
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 |
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 |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Ska1-MTBD | [U-100% 13C; U-100% 15N] | 0.800 mM | |
9 | potassium phosphate | natural abundance | 20 mM | |
10 | NaCl | natural abundance | 150 mM | |
11 | DTT | natural abundance | 1.5 mM | |
12 | H2O | natural abundance | 55 mM | |
13 | sodium azide | natural abundance | 0.00001 mM | |
14 | H2O | natural abundance | 95 % | |
15 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Ska1-MTBD | [U-100% 13C; U-100% 15N] | 0.800 mM | |
9 | potassium phosphate | natural abundance | 20 mM | |
10 | NaCl | natural abundance | 150 mM | |
11 | DTT | natural abundance | 1.5 mM | |
12 | H2O | natural abundance | 55 mM | |
13 | sodium azide | natural abundance | 0.00001 mM | |
14 | H2O | natural abundance | 95 % | |
15 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Ska1-MTBD | [U-100% 13C; U-100% 15N] | 0.800 mM | |
9 | potassium phosphate | natural abundance | 20 mM | |
10 | NaCl | natural abundance | 150 mM | |
11 | DTT | natural abundance | 1.5 mM | |
12 | H2O | natural abundance | 55 mM | |
13 | sodium azide | natural abundance | 0.00001 mM | |
14 | H2O | natural abundance | 95 % | |
15 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Ska1-MTBD | [U-100% 13C; U-100% 15N] | 0.800 mM | |
9 | potassium phosphate | natural abundance | 20 mM | |
10 | NaCl | natural abundance | 150 mM | |
11 | DTT | natural abundance | 1.5 mM | |
12 | H2O | natural abundance | 55 mM | |
13 | sodium azide | natural abundance | 0.00001 mM | |
14 | H2O | natural abundance | 95 % | |
15 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Ska1-MTBD | [U-100% 13C; U-100% 15N] | 0.800 mM | |
9 | potassium phosphate | natural abundance | 20 mM | |
10 | NaCl | natural abundance | 150 mM | |
11 | DTT | natural abundance | 1.5 mM | |
12 | H2O | natural abundance | 55 mM | |
13 | sodium azide | natural abundance | 0.00001 mM | |
14 | H2O | natural abundance | 95 % | |
15 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Ska1-MTBD | [U-100% 13C; U-100% 15N] | 0.800 mM | |
9 | potassium phosphate | natural abundance | 20 mM | |
10 | NaCl | natural abundance | 150 mM | |
11 | DTT | natural abundance | 1.5 mM | |
12 | H2O | natural abundance | 55 mM | |
13 | sodium azide | natural abundance | 0.00001 mM | |
14 | H2O | natural abundance | 95 % | |
15 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Ska1-MTBD | [U-100% 13C; U-100% 15N] | 0.800 mM | |
9 | potassium phosphate | natural abundance | 20 mM | |
10 | NaCl | natural abundance | 150 mM | |
11 | DTT | natural abundance | 1.5 mM | |
12 | H2O | natural abundance | 55 mM | |
13 | sodium azide | natural abundance | 0.00001 mM | |
14 | H2O | natural abundance | 95 % | |
15 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Ska1-MTBD | [U-100% 13C; U-100% 15N] | 0.800 mM | |
9 | potassium phosphate | natural abundance | 20 mM | |
10 | NaCl | natural abundance | 150 mM | |
11 | DTT | natural abundance | 1.5 mM | |
12 | H2O | natural abundance | 55 mM | |
13 | sodium azide | natural abundance | 0.00001 mM | |
14 | H2O | natural abundance | 95 % | |
15 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
16 | Ska1-MTBD | [U-100% 15N; ILV-Methyl 13C] | 0.800 mM | |
17 | potassium phosphate | natural abundance | 20 mM | |
18 | NaCl | natural abundance | 150 mM | |
19 | DTT | natural abundance | 1.5 mM | |
20 | H2O | natural abundance | 55 mM | |
21 | sodium azide | natural abundance | 0.00001 mM | |
22 | H2O | natural abundance | 95 % | |
23 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | Ska1-MTBD | [U-100% 15N ILV-Methyl 13C] | 0.800 mM | |
2 | potassium phosphate | natural abundance | 20 mM | |
3 | NaCl | natural abundance | 150 mM | |
4 | DTT | natural abundance | 1.5 mM | |
5 | H2O | natural abundance | 55 mM | |
6 | sodium azide | natural abundance | 0.0001 mM | |
7 | D2O | natural abundance | 100 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Ska1-MTBD | [U-100% 13C; U-100% 15N] | 0.800 mM | |
9 | potassium phosphate | natural abundance | 20 mM | |
10 | NaCl | natural abundance | 150 mM | |
11 | DTT | natural abundance | 1.5 mM | |
12 | H2O | natural abundance | 55 mM | |
13 | sodium azide | natural abundance | 0.00001 mM | |
14 | H2O | natural abundance | 95 % | |
15 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Ska1-MTBD | [U-100% 13C; U-100% 15N] | 0.800 mM | |
9 | potassium phosphate | natural abundance | 20 mM | |
10 | NaCl | natural abundance | 150 mM | |
11 | DTT | natural abundance | 1.5 mM | |
12 | H2O | natural abundance | 55 mM | |
13 | sodium azide | natural abundance | 0.00001 mM | |
14 | H2O | natural abundance | 95 % | |
15 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Ska1-MTBD | [U-100% 13C; U-100% 15N] | 0.800 mM | |
9 | potassium phosphate | natural abundance | 20 mM | |
10 | NaCl | natural abundance | 150 mM | |
11 | DTT | natural abundance | 1.5 mM | |
12 | H2O | natural abundance | 55 mM | |
13 | sodium azide | natural abundance | 0.00001 mM | |
14 | H2O | natural abundance | 95 % | |
15 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Ska1-MTBD | [U-100% 13C; U-100% 15N] | 0.800 mM | |
9 | potassium phosphate | natural abundance | 20 mM | |
10 | NaCl | natural abundance | 150 mM | |
11 | DTT | natural abundance | 1.5 mM | |
12 | H2O | natural abundance | 55 mM | |
13 | sodium azide | natural abundance | 0.00001 mM | |
14 | H2O | natural abundance | 95 % | |
15 | D2O | natural abundance | 5 % |
Varian INOVA - 500 MHz
State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
8 | Ska1-MTBD | [U-100% 13C; U-100% 15N] | 0.800 mM | |
9 | potassium phosphate | natural abundance | 20 mM | |
10 | NaCl | natural abundance | 150 mM | |
11 | DTT | natural abundance | 1.5 mM | |
12 | H2O | natural abundance | 55 mM | |
13 | sodium azide | natural abundance | 0.00001 mM | |
14 | H2O | natural abundance | 95 % | |
15 | D2O | natural abundance | 5 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_18717_2lyc.nef |
Input source #2: Coordindates | 2lyc.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 MNDIRIVPQITDEEFKTIPKYQLGRLTLEMMNEIVSKMDDFLMKKSKILGKTNKQLTRSDREVLDNWRELEMKARKRLPTTLFFIETDIRPMLQDRLRPS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MNDIRIVPQITDEEFKTIPKYQLGRLTLEMMNEIVSKMDDFLMKKSKILGKTNKQLTRSDREVLDNWRELEMKARKRLPTTLFFIETDIRPMLQDRLRPS -------110-------120-------130 FAKAIPCLRHIRRIREERCGPLTFYYPGSS |||||||||||||||||||||||||||||| FAKAIPCLRHIRRIREERCGPLTFYYPGSS
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_18717_2lyc.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MNDIRIVPQITDEEFKTIPKYQLGRLTLEMMNEIVSKMDDFLMKKSKILGKTNKQLTRSDREVLDNWRELEMKARKRLPTTLFFIETDIRPMLQDRLRPS ||||| |||||||||| ||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||| ||||||||||| ||||||| | ..DIRIV.QITDEEFKTI.KYQLGRLTLEMMNEIVSKMDDFLMK.SKILGKTNKQLTRSDREVLDNWRELEMKARKRL.TTLFFIETDIR.MLQDRLR.S -------110-------120-------130 FAKAIPCLRHIRRIREERCGPLTFYYPGSS |||||||||||||||||||| ||||||||| FAKAIPCLRHIRRIREERCG.LTFYYPGSS
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 871 | 597 | 68.5 |
13C chemical shifts | 632 | 379 | 60.0 |
15N chemical shifts | 146 | 116 | 79.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 256 | 240 | 93.8 |
13C chemical shifts | 260 | 119 | 45.8 |
15N chemical shifts | 122 | 116 | 95.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 615 | 357 | 58.0 |
13C chemical shifts | 372 | 260 | 69.9 |
15N chemical shifts | 24 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 75 | 62 | 82.7 |
13C chemical shifts | 75 | 60 | 80.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 50 | 30 | 60.0 |
13C chemical shifts | 49 | 26 | 53.1 |
15N chemical shifts | 1 | 0 | 0.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MNDIRIVPQITDEEFKTIPKYQLGRLTLEMMNEIVSKMDDFLMKKSKILGKTNKQLTRSDREVLDNWRELEMKARKRLPTTLFFIETDIRPMLQDRLRPS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ||||||| | ..DIRIVPQITDEEFKTIPKYQLGRLTLEMMNEIVSKMDDFLMKKSKILGKTNKQLTRSDREVLDNWRELEMKARKRLPTTLFFIETDIR.MLQDRLR.S -------110-------120-------130 FAKAIPCLRHIRRIREERCGPLTFYYPGSS |||||||||||||||||||| ||||| ||| FAKAIPCLRHIRRIREERCG.LTFYY.GSS