NMR SOLUTION STRUCTURE OF trans (MAJOR) FORM OF In936
Polymer type: polypeptide(L)
Total | 1H | 13C | |
---|---|---|---|
All | 55.2 % (48 of 87) | 75.0 % (36 of 48) | 30.8 % (12 of 39) |
Backbone | 38.5 % (15 of 39) | 68.8 % (11 of 16) | 17.4 % (4 of 23) |
Sidechain | 63.6 % (35 of 55) | 78.1 % (25 of 32) | 43.5 % (10 of 23) |
Aromatic | 68.4 % (13 of 19) | 80.0 % (8 of 10) | 55.6 % (5 of 9) |
Methyl | 75.0 % (6 of 8) | 100.0 % (4 of 4) | 50.0 % (2 of 4) |
1. tIn936W
GCVLYPWCSolvent system 90% H2O/10% D2O, Temperature 293 K
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TSP | natural abundance | ~3 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | tIn936W | natural abundance | 0.0 ~ 0.0 mM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TSP | natural abundance | ~3 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | tIn936W | natural abundance | 0.0 ~ 0.0 mM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TSP | natural abundance | ~3 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | tIn936W | natural abundance | 0.0 ~ 0.0 mM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TSP | natural abundance | ~3 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | tIn936W | natural abundance | 0.0 ~ 0.0 mM |
Bruker Avance - 500 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Temperature 293 K
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TSP | natural abundance | ~3 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % | |
4 | tIn936W | natural abundance | 0.0 ~ 0.0 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19129_2m6d.nef |
Input source #2: Coordindates | 2m6d.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 | True (see coodinates for details) |
Whether the assembly contains a cyclic polymer | None |
Overall data processing status | Error |
Disulfide bonds
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Å) |
---|---|---|---|---|
A:2:CYS:SG | A:8:CYS:SG | unknown | unknown | 2.105 |
Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Å) |
---|---|---|---|---|
1:3:VAL:C | 1:4:DLE:N | unknown | unknown | n/a |
1:4:DLE:C | 1:5:TYR:N | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
A | 4 | DLE | D-LEUCINE | Coordinates |
Sequence alignments
-------- GCVXYPWC |||||||| GCVXYPWC
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 8 | 0 | 0 | 100.0 |
Content subtype: combined_19129_2m6d.nef
Assigned chemical shifts
Covalent bonds
Distance restraints
Dihedral angle restraints