NMR SOLUTION STRUCTURE OF cis (MINOR) FORM OF In936 in Methanol
Polymer type: polypeptide(L)
Total | 1H | 13C | |
---|---|---|---|
All | 65.5 % (57 of 87) | 91.7 % (44 of 48) | 33.3 % (13 of 39) |
Backbone | 43.6 % (17 of 39) | 93.8 % (15 of 16) | 8.7 % (2 of 23) |
Sidechain | 74.5 % (41 of 55) | 90.6 % (29 of 32) | 52.2 % (12 of 23) |
Aromatic | 100.0 % (19 of 19) | 100.0 % (10 of 10) | 100.0 % (9 of 9) |
Methyl | 37.5 % (3 of 8) | 75.0 % (3 of 4) | 0.0 % (0 of 4) |
1. cIn936M
GCVLYPWCSolvent system methanol, Temperature 273 K
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TSP | natural abundance | ~3 mM | |
2 | methanol | natural abundance | 100 % | |
3 | cIn936M | natural abundance | 0.0 ~ 0.0 mM |
Bruker Avance - 500 MHz
State isotropic, Solvent system methanol, Temperature 273 K
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TSP | natural abundance | ~3 mM | |
2 | methanol | natural abundance | 100 % | |
3 | cIn936M | natural abundance | 0.0 ~ 0.0 mM |
Bruker Avance - 500 MHz
State isotropic, Solvent system methanol, Temperature 273 K
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TSP | natural abundance | ~3 mM | |
2 | methanol | natural abundance | 100 % | |
3 | cIn936M | natural abundance | 0.0 ~ 0.0 mM |
Bruker Avance - 500 MHz
State isotropic, Solvent system methanol, Temperature 273 K
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TSP | natural abundance | ~3 mM | |
2 | methanol | natural abundance | 100 % | |
3 | cIn936M | natural abundance | 0.0 ~ 0.0 mM |
Bruker Avance - 500 MHz
State isotropic, Solvent system methanol, Temperature 273 K
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | TSP | natural abundance | ~3 mM | |
2 | methanol | natural abundance | 100 % | |
3 | cIn936M | natural abundance | 0.0 ~ 0.0 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_19130_2m6e.nef |
Input source #2: Coordindates | 2m6e.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 | 1.519 |
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_19130_2m6e.nef
Assigned chemical shifts
Covalent bonds
Distance restraints
Dihedral angle restraints
-------- GCVXYPWC || |||| GC..YPWC