D11 bound [N29, S39_PQ]-IGF-II
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 96.1 % (743 of 773) | 98.3 % (396 of 403) | 92.4 % (279 of 302) | 100.0 % (68 of 68) |
Backbone | 99.3 % (403 of 406) | 100.0 % (139 of 139) | 98.5 % (199 of 202) | 100.0 % (65 of 65) |
Sidechain | 93.7 % (404 of 431) | 97.3 % (257 of 264) | 87.8 % (144 of 164) | 100.0 % (3 of 3) |
Aromatic | 78.1 % (50 of 64) | 100.0 % (32 of 32) | 56.3 % (18 of 32) | |
Methyl | 98.4 % (61 of 62) | 100.0 % (31 of 31) | 96.8 % (30 of 31) |
1. Insulin-like growth factor II
AYRPSETLCG GELVDTLQFV CGDRGFYFNR PASRVSRRSP QRGIVEECCF RSCDLALLET YCATPAKSESolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.2, Details 20 mM d4 acetic acid, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | d4 | 20 mM | |
2 | H2O | natural abundance | 90 % | |
3 | 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 |
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 |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.2, Details 20 mM d4 acetic acid, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | d4 | 20 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.2, Details 20 mM d4 acetic acid, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | d4 | 20 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.2, Details 20 mM d4 acetic acid, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | d4 | 20 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.2, Details 20 mM d4 acetic acid, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | d4 | 20 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.2, Details 20 mM d4 acetic acid, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | d4 | 20 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.2, Details 20 mM d4 acetic acid, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | d4 | 20 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.2, Details 20 mM d4 acetic acid, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | d4 | 20 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker AvanceIII - 850 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.2, Details 20 mM d4 acetic acid, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | d4 | 20 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_34002_5l3n.nef |
Input source #2: Coordindates | 5l3n.cif |
Diamagnetism of the molecular assembly | True (excluding Oxygen atoms) |
Whether the assembly has a disulfide bond | True (see coordinates for details) |
Whether the assembly has a other bond | None |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Warning |
Disulfide bonds
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Å) |
---|---|---|---|---|
A:9:CYS:SG | A:49:CYS:SG | oxidized, CA 54.092, CB 48.569 ppm | oxidized, CA 56.846, CB 39.133 ppm | 2.035 |
A:21:CYS:SG | A:62:CYS:SG | oxidized, CA 53.997, CB 36.421 ppm | oxidized, CA 53.161, CB 34.413 ppm | 2.03 |
A:48:CYS:SG | A:53:CYS:SG | oxidized, CA 55.427, CB 45.148 ppm | oxidized, CA 53.325, CB 47.544 ppm | 2.029 |
Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneSequence alignments
--------10--------20--------30--------40--------50--------60--------- AYRPSETLCGGELVDTLQFVCGDRGFYFNRPASRVSRRSPQRGIVEECCFRSCDLALLETYCATPAKSE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| AYRPSETLCGGELVDTLQFVCGDRGFYFNRPASRVSRRSPQRGIVEECCFRSCDLALLETYCATPAKSE
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 69 | 0 | 0 | 100.0 |
Content subtype: combined_34002_5l3n.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------- AYRPSETLCGGELVDTLQFVCGDRGFYFNRPASRVSRRSPQRGIVEECCFRSCDLALLETYCATPAKSE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| AYRPSETLCGGELVDTLQFVCGDRGFYFNRPASRVSRRSPQRGIVEECCFRSCDLALLETYCATPAKSE
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
16 | THR | HG1 | 5.155 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 403 | 395 | 98.0 |
13C chemical shifts | 302 | 279 | 92.4 |
15N chemical shifts | 76 | 73 | 96.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 139 | 138 | 99.3 |
13C chemical shifts | 138 | 135 | 97.8 |
15N chemical shifts | 65 | 65 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 264 | 257 | 97.3 |
13C chemical shifts | 164 | 144 | 87.8 |
15N chemical shifts | 11 | 8 | 72.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 31 | 31 | 100.0 |
13C chemical shifts | 31 | 30 | 96.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 32 | 32 | 100.0 |
13C chemical shifts | 32 | 18 | 56.2 |
Covalent bonds
Distance restraints
--------10--------20--------30--------40--------50--------60--------- AYRPSETLCGGELVDTLQFVCGDRGFYFNRPASRVSRRSPQRGIVEECCFRSCDLALLETYCATPAKSE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| AYRPSETLCGGELVDTLQFVCGDRGFYFNRPASRVSRRSPQRGIVEECCFRSCDLALLETYCATPAKSE
Dihedral angle restraints