SOLUTION STRUCTURE OF THE IMS DOMAIN OF THE MITOCHONDRIAL IMPORT PROTEIN TIM21 FROM S. CEREVISIAE
GAMGSGDTQL FNRAVSMVEK NKDIRSLLQC DDGITGKERL KAYGELITND KWTRNRPIVS TKKLDKEGRT HHYMRFHVES KKKIALVHLE AKESKQNYQP DFINMYVDVP GEKRYYLIKP KLHPVSN
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 90.6 % (1401 of 1546) | 97.3 % (796 of 818) | 80.0 % (475 of 594) | 97.0 % (130 of 134) |
Backbone | 85.1 % (640 of 752) | 98.8 % (254 of 257) | 71.8 % (268 of 373) | 96.7 % (118 of 122) |
Sidechain | 96.5 % (881 of 913) | 96.8 % (543 of 561) | 95.9 % (326 of 340) | 100.0 % (12 of 12) |
Aromatic | 78.2 % (86 of 110) | 81.8 % (45 of 55) | 74.1 % (40 of 54) | 100.0 % (1 of 1) |
Methyl | 100.0 % (122 of 122) | 100.0 % (61 of 61) | 100.0 % (61 of 61) |
1. entity
GAMGSGDTQL FNRAVSMVEK NKDIRSLLQC DDGITGKERL KAYGELITND KWTRNRPIVS TKKLDKEGRT HHYMRFHVES KKKIALVHLE AKESKQNYQP DFINMYVDVP GEKRYYLIKP KLHPVSNSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.3 ~ 0.8 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | HEPES | natural abundance | 20 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
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 |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.3 ~ 0.8 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | HEPES | natural abundance | 20 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.3 ~ 0.8 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | HEPES | natural abundance | 20 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.3 ~ 0.8 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | HEPES | natural abundance | 20 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.3 ~ 0.8 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | HEPES | natural abundance | 20 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.3 ~ 0.8 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | HEPES | natural abundance | 20 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.3 ~ 0.8 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | HEPES | natural abundance | 20 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.3 ~ 0.8 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | HEPES | natural abundance | 20 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.3 ~ 0.8 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | HEPES | natural abundance | 20 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.3 ~ 0.8 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | HEPES | natural abundance | 20 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.3 ~ 0.8 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | HEPES | natural abundance | 20 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker Avance - 700 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.2
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-100% 13C; U-100% 15N] | 0.3 ~ 0.8 mM | |
2 | sodium chloride | natural abundance | 50 mM | |
3 | HEPES | natural abundance | 20 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19538_2mf7.nef |
Input source #2: Coordindates | 2mf7.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 GAMGSGDTQLFNRAVSMVEKNKDIRSLLQCDDGITGKERLKAYGELITNDKWTRNRPIVSTKKLDKEGRTHHYMRFHVESKKKIALVHLEAKESKQNYQP |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GAMGSGDTQLFNRAVSMVEKNKDIRSLLQCDDGITGKERLKAYGELITNDKWTRNRPIVSTKKLDKEGRTHHYMRFHVESKKKIALVHLEAKESKQNYQP -------110-------120------- DFINMYVDVPGEKRYYLIKPKLHPVSN ||||||||||||||||||||||||||| DFINMYVDVPGEKRYYLIKPKLHPVSN
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 127 | 0 | 0 | 100.0 |
Content subtype: combined_19538_2mf7.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GAMGSGDTQLFNRAVSMVEKNKDIRSLLQCDDGITGKERLKAYGELITNDKWTRNRPIVSTKKLDKEGRTHHYMRFHVESKKKIALVHLEAKESKQNYQP |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GAMGSGDTQLFNRAVSMVEKNKDIRSLLQCDDGITGKERLKAYGELITNDKWTRNRPIVSTKKLDKEGRTHHYMRFHVESKKKIALVHLEAKESKQNYQP -------110-------120------- DFINMYVDVPGEKRYYLIKPKLHPVSN ||||||||||||||||||||||||||| DFINMYVDVPGEKRYYLIKPKLHPVSN
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 818 | 792 | 96.8 |
13C chemical shifts | 594 | 451 | 75.9 |
15N chemical shifts | 142 | 129 | 90.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 257 | 252 | 98.1 |
13C chemical shifts | 254 | 127 | 50.0 |
15N chemical shifts | 122 | 117 | 95.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 561 | 540 | 96.3 |
13C chemical shifts | 340 | 324 | 95.3 |
15N chemical shifts | 20 | 12 | 60.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 65 | 65 | 100.0 |
13C chemical shifts | 65 | 65 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 55 | 42 | 76.4 |
13C chemical shifts | 54 | 38 | 70.4 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GAMGSGDTQLFNRAVSMVEKNKDIRSLLQCDDGITGKERLKAYGELITNDKWTRNRPIVSTKKLDKEGRTHHYMRFHVESKKKIALVHLEAKESKQNYQP ||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GAM.SGDTQLFNRAVSMVEKNKDIRSLLQCDDGITGKERLKAYGELITNDKWTRNRPIVSTKKLDKEGRTHHYMRFHVESKKKIALVHLEAKESKQNYQP -------110-------120------- DFINMYVDVPGEKRYYLIKPKLHPVSN ||||||||||||||||||||||||||| DFINMYVDVPGEKRYYLIKPKLHPVSN
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GAMGSGDTQLFNRAVSMVEKNKDIRSLLQCDDGITGKERLKAYGELITNDKWTRNRPIVSTKKLDKEGRTHHYMRFHVESKKKIALVHLEAKESKQNYQP |||||||||||||||||||||||||| ||||||||| |||||||||||||||||||||||||||||||||||||||||||| ....SGDTQLFNRAVSMVEKNKDIRSLLQC.....GKERLKAYG............PIVSTKKLDKEGRTHHYMRFHVESKKKIALVHLEAKESKQNYQP --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120------- DFINMYVDVPGEKRYYLIKPKLHPVSN ||||||||||||||||||||| DFINMYVDVPGEKRYYLIKPK -------110-------120-