D11 bound IGF-II
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 84.4 % (628 of 744) | 99.7 % (385 of 386) | 60.8 % (178 of 293) | 100.0 % (65 of 65) |
Backbone | 75.3 % (298 of 396) | 100.0 % (136 of 136) | 50.0 % (98 of 196) | 100.0 % (64 of 64) |
Sidechain | 95.1 % (390 of 410) | 99.6 % (249 of 250) | 88.1 % (140 of 159) | 100.0 % (1 of 1) |
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 CGDRGFYFSR PASRVSRRSR GIVEECCFRS CDLALLETYC ATPAKSESolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 308 K, pH 4.2, Details 20 uM d4 acetic acid, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | d4 | 20 uM | |
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 uM d4 acetic acid, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | d4 | 20 uM | |
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 uM d4 acetic acid, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | d4 | 20 uM | |
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 uM d4 acetic acid, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | d4 | 20 uM | |
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 uM d4 acetic acid, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | d4 | 20 uM | |
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 uM d4 acetic acid, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | d4 | 20 uM | |
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 uM d4 acetic acid, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | d4 | 20 uM | |
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 uM d4 acetic acid, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | d4 | 20 uM | |
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 uM d4 acetic acid, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | acetic acid | d4 | 20 uM | |
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_34000_5l3l.nef |
Input source #2: Coordindates | 5l3l.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:47:CYS:SG | oxidized, CB 48.559 ppm | oxidized, CB 39.148 ppm | 2.03 |
A:21:CYS:SG | A:60:CYS:SG | oxidized, CB 36.424 ppm | oxidized, CA 53.289, CB 34.413 ppm | 2.026 |
A:46:CYS:SG | A:51:CYS:SG | oxidized, CB 45.135 ppm | oxidized, CA 53.343, CB 47.521 ppm | 2.028 |
Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
NoneNon-standard residues
NoneSequence alignments
--------10--------20--------30--------40--------50--------60------- AYRPSETLCGGELVDTLQFVCGDRGFYFSRPASRVSRRSRGIVEECCFRSCDLALLETYCATPAKSE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| AYRPSETLCGGELVDTLQFVCGDRGFYFSRPASRVSRRSRGIVEECCFRSCDLALLETYCATPAKSE
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 67 | 0 | 0 | 100.0 |
Content subtype: combined_34000_5l3l.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60------- AYRPSETLCGGELVDTLQFVCGDRGFYFSRPASRVSRRSRGIVEECCFRSCDLALLETYCATPAKSE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| AYRPSETLCGGELVDTLQFVCGDRGFYFSRPASRVSRRSRGIVEECCFRSCDLALLETYCATPAKSE
Comp_index_ID | Comp_ID | Atom_ID | CS value (ppm) |
---|---|---|---|
16 | THR | HG1 | 5.166 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 386 | 385 | 99.7 |
13C chemical shifts | 293 | 174 | 59.4 |
15N chemical shifts | 73 | 72 | 98.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 136 | 136 | 100.0 |
13C chemical shifts | 134 | 34 | 25.4 |
15N chemical shifts | 64 | 64 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 250 | 249 | 99.6 |
13C chemical shifts | 159 | 140 | 88.1 |
15N chemical shifts | 9 | 8 | 88.9 |
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------- AYRPSETLCGGELVDTLQFVCGDRGFYFSRPASRVSRRSRGIVEECCFRSCDLALLETYCATPAKSE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| AYRPSETLCGGELVDTLQFVCGDRGFYFSRPASRVSRRSRGIVEECCFRSCDLALLETYCATPAKSE
Dihedral angle restraints