1H, 13C, and 15N Chemical Shift Assignments for Kindle-2 N-terminus
GAMPDEFMAL DGIRMPDGCY ADGTWELSVH VTDVNRDVTL RVTGEVHIGG VMLKLVEKLD VKKDWSDHAL WWEKKRTWLL KTHWTLDKYG IQADAKLQFT PQHKLLRLQL PN
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 72.6 % (981 of 1351) | 68.0 % (476 of 700) | 75.7 % (402 of 531) | 85.8 % (103 of 120) |
Backbone | 85.2 % (566 of 664) | 83.8 % (191 of 228) | 85.4 % (280 of 328) | 88.0 % (95 of 108) |
Sidechain | 64.0 % (506 of 791) | 60.4 % (285 of 472) | 69.4 % (213 of 307) | 66.7 % (8 of 12) |
Aromatic | 16.4 % (21 of 128) | 23.4 % (15 of 64) | 0.0 % (0 of 58) | 100.0 % (6 of 6) |
Methyl | 89.7 % (122 of 136) | 89.7 % (61 of 68) | 89.7 % (61 of 68) |
1. entity
GAMPDEFMAL DGIRMPDGCY ADGTWELSVH VTDVNRDVTL RVTGEVHIGG VMLKLVEKLD VKKDWSDHAL WWEKKRTWLL KTHWTLDKYG IQADAKLQFT PQHKLLRLQL PNSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | k2-n | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | k2-n | natural abundance | 1 mM | |
8 | sodium phosphate | natural abundance | 50 mM | |
9 | sodium chloride | natural abundance | 100 mM | |
10 | sodium azide | natural abundance | 0.05 % | |
11 | H2O | natural abundance | 90 % | |
12 | D2O | natural abundance | 10 % |
Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | k2-n | [U-100% 15N] | 0.1 mM | |
14 | sodium phosphate | natural abundance | 50 mM | |
15 | sodium chloride | natural abundance | 100 mM | |
16 | sodium azide | natural abundance | 0.05 % | |
17 | D2O | natural abundance | 100 % |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
1H | water | protons | 4.7 ppm | internal | direct | 1.0 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | k2-n | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | k2-n | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | k2-n | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | k2-n | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | k2-n | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | k2-n | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | k2-n | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | k2-n | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | k2-n | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | k2-n | [U-100% 13C; U-100% 15N] | 1 mM | |
2 | sodium phosphate | natural abundance | 50 mM | |
3 | sodium chloride | natural abundance | 100 mM | |
4 | sodium azide | natural abundance | 0.05 % | |
5 | H2O | natural abundance | 90 % | |
6 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | k2-n | natural abundance | 1 mM | |
8 | sodium phosphate | natural abundance | 50 mM | |
9 | sodium chloride | natural abundance | 100 mM | |
10 | sodium azide | natural abundance | 0.05 % | |
11 | H2O | natural abundance | 90 % | |
12 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
7 | k2-n | natural abundance | 1 mM | |
8 | sodium phosphate | natural abundance | 50 mM | |
9 | sodium chloride | natural abundance | 100 mM | |
10 | sodium azide | natural abundance | 0.05 % | |
11 | H2O | natural abundance | 90 % | |
12 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
13 | k2-n | [U-100% 15N] | 0.1 mM | |
14 | sodium phosphate | natural abundance | 50 mM | |
15 | sodium chloride | natural abundance | 100 mM | |
16 | sodium azide | natural abundance | 0.05 % | |
17 | D2O | natural abundance | 100 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints | combined_17827_2lgx.nef |
Input source #2: Coordindates | 2lgx.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--- GAMPDEFMALDGIRMPDGCYADGTWELSVHVTDVNRDVTLRVTGEVHIGGVMLKLVEKLDVKKDWSDHALWWEKKRTWLLKTHWTLDKYGIQADAKLQFT |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| GAMPDEFMALDGIRMPDGCYADGTWELSVHVTDVNRDVTLRVTGEVHIGGVMLKLVEKLDVKKDWSDHALWWEKKRTWLLKTHWTLDKYGIQADAKLQFT --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 ----100----- PQHKLLRLQLPN |||||||||||| PQHKLLRLQLPN -------110--
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 112 | 0 | 0 | 100.0 |
Content subtype: combined_17827_2lgx.nef
Assigned chemical shifts
---------------10--------20--------30--------40--------50--------60--------70--------80--------90--- GAMPDEFMALDGIRMPDGCYADGTWELSVHVTDVNRDVTLRVTGEVHIGGVMLKLVEKLDVKKDWSDHALWWEKKRTWLLKTHWTLDKYGIQADAKLQFT ||||||||||||||||||||||||| |||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||| .......MALDGIRMPDGCYADGTWELSVHVT.VNRDVTLRVTGEVHIGGVMLKLVEKL..KKDWSDHALWWEKKRTWLLKTHWTLDKYGIQADAKLQFT ---------------10--------20--------30--------40--------50--------60--------70--------80--------90--- ----100----- PQHKLLRLQLPN | |||||||| P.HKLLRLQL ----100---
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 700 | 461 | 65.9 |
13C chemical shifts | 531 | 398 | 75.0 |
15N chemical shifts | 125 | 103 | 82.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 228 | 191 | 83.8 |
13C chemical shifts | 224 | 189 | 84.4 |
15N chemical shifts | 108 | 95 | 88.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 472 | 270 | 57.2 |
13C chemical shifts | 307 | 209 | 68.1 |
15N chemical shifts | 17 | 8 | 47.1 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 72 | 60 | 83.3 |
13C chemical shifts | 72 | 60 | 83.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 64 | 8 | 12.5 |
13C chemical shifts | 58 | 0 | 0.0 |
15N chemical shifts | 6 | 6 | 100.0 |
Distance restraints
---------------10--------20--------30--------40--------50--------60--------70--------80--------90--- GAMPDEFMALDGIRMPDGCYADGTWELSVHVTDVNRDVTLRVTGEVHIGGVMLKLVEKLDVKKDWSDHALWWEKKRTWLLKTHWTLDKYGIQADAKLQFT ||||||||||||||||||||||||| |||||||||||||||||||||||||| |||||||||||||||||||||||||||||||||||||| .......MALDGIRMPDGCYADGTWELSVHVT.VNRDVTLRVTGEVHIGGVMLKLVEKL...KDWSDHALWWEKKRTWLLKTHWTLDKYGIQADAKLQFT ---------------10--------20--------30--------40--------50--------60--------70--------80--------90--- ----100----- PQHKLLRLQLPN | P -
Dihedral angle restraints
---------------10--------20--------30--------40--------50--------60--------70--------80--------90--- GAMPDEFMALDGIRMPDGCYADGTWELSVHVTDVNRDVTLRVTGEVHIGGVMLKLVEKLDVKKDWSDHALWWEKKRTWLLKTHWTLDKYGIQADAKLQFT ||||||||||| ||||||||||||||||||||||||| ||||||||||||||||||||||||||||||||||||||| .....................DGTWELSVHVT..NRDVTLRVTGEVHIGGVMLKLVEKL..KKDWSDHALWWEKKRTWLLKTHWTLDKYGIQADAKLQFT ---------------10--------20--------30--------40--------50--------60--------70--------80--------90--- ----100----- PQHKLLRLQLPN | P -