The structure of a domain from yeast
MVATVKRTIR IKTQQHILPE VPPVENFPVR QWSIEIVLLD DEGKEIPATI FDKVIYHLHP TFANPNRTFT DPPFRIEEQG WGGFPLDISV FLLEKAGERK IPHDLNFLQE SYEVEHVIQI PLNLEHHHHH H
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 66.3 % (1073 of 1618) | 66.5 % (561 of 844) | 62.9 % (404 of 642) | 81.8 % (108 of 132) |
Backbone | 84.6 % (645 of 762) | 86.3 % (220 of 255) | 81.7 % (317 of 388) | 90.8 % (108 of 119) |
Sidechain | 54.9 % (539 of 982) | 57.9 % (341 of 589) | 52.1 % (198 of 380) | 0.0 % (0 of 13) |
Aromatic | 1.2 % (2 of 164) | 1.2 % (1 of 82) | 1.3 % (1 of 80) | 0.0 % (0 of 2) |
Methyl | 67.1 % (106 of 158) | 81.0 % (64 of 79) | 53.2 % (42 of 79) |
1. a domain
MVATVKRTIR IKTQQHILPE VPPVENFPVR QWSIEIVLLD DEGKEIPATI FDKVIYHLHP TFANPNRTFT DPPFRIEEQG WGGFPLDISV FLLEKAGERK IPHDLNFLQE SYEVEHVIQI PLNLEHHHHH HSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | a_domain | natural abundance | 0.7 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | a_domain | natural abundance | 0.7 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | sodium chloride | natural abundance | 100 mM | |
9 | D2O | natural abundance | 100 % |
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 |
31P | DSS | methyl protons | 0.0 ppm | null | indirect | 0.4048086 |
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 |
31P | DSS | methyl protons | 0.0 ppm | null | indirect | 0.4048086 |
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 |
31P | DSS | methyl protons | 0.0 ppm | null | indirect | 0.4048086 |
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 |
31P | DSS | methyl protons | 0.0 ppm | null | indirect | 0.4048086 |
Bruker DMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | a_domain | natural abundance | 0.7 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | a_domain | natural abundance | 0.7 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | a_domain | natural abundance | 0.7 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | a_domain | natural abundance | 0.7 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | a_domain | natural abundance | 0.7 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | a_domain | natural abundance | 0.7 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | a_domain | natural abundance | 0.7 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | a_domain | natural abundance | 0.7 mM | |
2 | sodium phosphate | natural abundance | 20 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | a_domain | natural abundance | 0.7 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | sodium chloride | natural abundance | 100 mM | |
9 | D2O | natural abundance | 100 % |
Bruker DMX - 500 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.7
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
6 | a_domain | natural abundance | 0.7 mM | |
7 | sodium phosphate | natural abundance | 20 mM | |
8 | sodium chloride | natural abundance | 100 mM | |
9 | D2O | natural abundance | 100 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17352_2l7e.nef |
Input source #2: Coordindates | 2l7e.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 MVATVKRTIRIKTQQHILPEVPPVENFPVRQWSIEIVLLDDEGKEIPATIFDKVIYHLHPTFANPNRTFTDPPFRIEEQGWGGFPLDISVFLLEKAGERK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MVATVKRTIRIKTQQHILPEVPPVENFPVRQWSIEIVLLDDEGKEIPATIFDKVIYHLHPTFANPNRTFTDPPFRIEEQGWGGFPLDISVFLLEKAGERK -------110-------120-------130- IPHDLNFLQESYEVEHVIQIPLNLEHHHHHH ||||||||||||||||||||||||||||||| IPHDLNFLQESYEVEHVIQIPLNLEHHHHHH
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 131 | 0 | 0 | 100.0 |
Content subtype: combined_17352_2l7e.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MVATVKRTIRIKTQQHILPEVPPVENFPVRQWSIEIVLLDDEGKEIPATIFDKVIYHLHPTFANPNRTFTDPPFRIEEQGWGGFPLDISVFLLEKAGERK |||||||||||||||||||| ||||| ||||||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||| .VATVKRTIRIKTQQHILPEV.PVENF.VRQWSIEIVLLDDEGKEIPATIFDKVIYHLHPTFANPNRTFTD.PFRIEEQGWGGFPLDISVFLLEKAGERK --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130- IPHDLNFLQESYEVEHVIQIPLNLEHHHHHH ||||||||||||||||||||||| IPHDLNFLQESYEVEHVIQIPLN -------110-------120---
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
61 | THR | HG1 | 7.626 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 642 | 392 | 61.1 |
1H chemical shifts | 844 | 558 | 66.1 |
15N chemical shifts | 138 | 107 | 77.5 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 262 | 202 | 77.1 |
1H chemical shifts | 255 | 221 | 86.7 |
15N chemical shifts | 119 | 107 | 89.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 380 | 190 | 50.0 |
1H chemical shifts | 589 | 337 | 57.2 |
15N chemical shifts | 19 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 80 | 38 | 47.5 |
1H chemical shifts | 80 | 65 | 81.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 80 | 0 | 0.0 |
1H chemical shifts | 82 | 0 | 0.0 |
15N chemical shifts | 2 | 0 | 0.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MVATVKRTIRIKTQQHILPEVPPVENFPVRQWSIEIVLLDDEGKEIPATIFDKVIYHLHPTFANPNRTFTDPPFRIEEQGWGGFPLDISVFLLEKAGERK |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..ATVKRTIRIKTQQHILPEVPPVENFPVRQWSIEIVLLDDEGKEIPATIFDKVIYHLHPTFANPNRTFTDPPFRIEEQGWGGFPLDISVFLLEKAGERK --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130- IPHDLNFLQESYEVEHVIQIPLNLEHHHHHH ||||||||||||||||||||||| IPHDLNFLQESYEVEHVIQIPLN -------110-------120---
Dihedral angle restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 MVATVKRTIRIKTQQHILPEVPPVENFPVRQWSIEIVLLDDEGKEIPATIFDKVIYHLHPTFANPNRTFTDPPFRIEEQGWGGFPLDISVFLLEKAGERK |||||||||||||||||||| ||||||||||||||| ||| ||||| |||||||||| |||||||| |||||| |||||| ..ATVKRTIRIKTQQHILPEVP......VRQWSIEIVLLDDEG.EIP.....KVIYH..PTFANPNRTF.....RIEEQGWG..PLDISV....KAGERK --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -------110-------120-------130- IPHDLNFLQESYEVEHVIQIPLNLEHHHHHH |||||||| |||||||||| IPHDLNFL..SYEVEHVIQI -------110-------120