Cat r 1
SFTGSMPNPR VFFDMSVGGQ PAGRIVMELF ADTTPRTAEN FRALCTGEKG TGRSGKPLHY KDSSFHRVIP GFMCQGGDFT AGNGTGGESI YGAKFADENF IKKHTGPGIL SMANAGPNTN GSQFFICTAK TEWLDGKHVV FGQVVEGMDV VKAIEKVGSS SGRTAKKVVV EDCGQLS
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 77.4 % (1514 of 1956) | 79.8 % (807 of 1011) | 70.8 % (540 of 763) | 91.8 % (167 of 182) |
Backbone | 83.7 % (875 of 1046) | 96.8 % (360 of 372) | 69.1 % (349 of 505) | 98.2 % (166 of 169) |
Sidechain | 74.3 % (788 of 1061) | 70.0 % (447 of 639) | 83.1 % (340 of 409) | 7.7 % (1 of 13) |
Aromatic | 34.5 % (60 of 174) | 37.9 % (33 of 87) | 30.2 % (26 of 86) | 100.0 % (1 of 1) |
Methyl | 98.7 % (156 of 158) | 98.7 % (78 of 79) | 98.7 % (78 of 79) |
1. entity
SFTGSMPNPR VFFDMSVGGQ PAGRIVMELF ADTTPRTAEN FRALCTGEKG TGRSGKPLHY KDSSFHRVIP GFMCQGGDFT AGNGTGGESI YGAKFADENF IKKHTGPGIL SMANAGPNTN GSQFFICTAK TEWLDGKHVV FGQVVEGMDV VKAIEKVGSS SGRTAKKVVV EDCGQLSSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 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 | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Varian INOVA - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.0
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | entity | [U-99% 13C; U-99% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 25 mM | |
3 | sodium chloride | natural abundance | 50 mM | |
4 | H2O | natural abundance | 90 % | |
5 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_19432_2mc9.nef |
Input source #2: Coordindates | 2mc9.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 GSFTGSMPNPRVFFDMSVGGQPAGRIVMELFADTTPRTAENFRALCTGEKGTGRSGKPLHYKDSSFHRVIPGFMCQGGDFTAGNGTGGESIYGAKFADEN |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GSFTGSMPNPRVFFDMSVGGQPAGRIVMELFADTTPRTAENFRALCTGEKGTGRSGKPLHYKDSSFHRVIPGFMCQGGDFTAGNGTGGESIYGAKFADEN -------110-------120-------130-------140-------150-------160-------170-------- FIKKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGQVVEGMDVVKAIEKVGSSSGRTAKKVVVEDCGQLS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| FIKKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGQVVEGMDVVKAIEKVGSSSGRTAKKVVVEDCGQLS
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 178 | 0 | 0 | 100.0 |
Content subtype: combined_19432_2mc9.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GSFTGSMPNPRVFFDMSVGGQPAGRIVMELFADTTPRTAENFRALCTGEKGTGRSGKPLHYKDSSFHRVIPGFMCQGGDFTAGNGTGGESIYGAKFADEN ||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .SFT...PNPRVFFDMSVGGQPAGRIVMELFADTTPRTAENFRALCTGEKGTGRSGKPLHYKDSSFHRVIPGFMCQGGDFTAGNGTGGESIYGAKFADEN -------110-------120-------130-------140-------150-------160-------170-------- FIKKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGQVVEGMDVVKAIEKVGSSSGRTAKKVVVEDCGQLS |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| FIKKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGQVVEGMDVVKAIEKVGSSSGRTAKKVVVEDCGQLS
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
86 | THR | HG1 | 4.255 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 1014 | 780 | 76.9 |
13C chemical shifts | 765 | 507 | 66.3 |
15N chemical shifts | 190 | 166 | 87.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 375 | 357 | 95.2 |
13C chemical shifts | 356 | 174 | 48.9 |
15N chemical shifts | 170 | 165 | 97.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 639 | 423 | 66.2 |
13C chemical shifts | 409 | 333 | 81.4 |
15N chemical shifts | 20 | 1 | 5.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 85 | 80 | 94.1 |
13C chemical shifts | 85 | 80 | 94.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 87 | 25 | 28.7 |
13C chemical shifts | 86 | 23 | 26.7 |
15N chemical shifts | 1 | 1 | 100.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 GSFTGSMPNPRVFFDMSVGGQPAGRIVMELFADTTPRTAENFRALCTGEKGTGRSGKPLHYKDSSFHRVIPGFMCQGGDFTAGNGTGGESIYGAKFADEN || ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..FT...PNPRVFFDMSVGGQPAGRIVMELFADTTPRTAENFRALCTGEKGTGRSGKPLHYKDSSFHRVIPGFMCQGGDFTAGNGTGGESIYGAKFADEN -------110-------120-------130-------140-------150-------160-------170-------- FIKKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKHVVFGQVVEGMDVVKAIEKVGSSSGRTAKKVVVEDCGQLS ||||||||||||||||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||| FIKKHTGPGILSMANAGPNTNGSQFFICTAKTEWLDGKH.VFGQVVEGMDVVKAIEKVGSSSGRTAKKVVVEDCGQLS