PDZ Domain of CAL (Cystic Fibrosis Transmembrane Regulator-Associated Ligand)
HHHHHHHHHH SSGHIEGRHM ENLYFQGIRK VLLLKEDHEG LGISITGGKE HGVPILISEI HPGQPADRCG GLHVGDAILA VNGVNLRDTK HKEAVTILSQ QRGEIEFEVV YV
Polymer type: polypeptide(L)
Total | 13C | 15N | |
---|---|---|---|
All | 46.7 % (309 of 662) | 42.5 % (228 of 537) | 64.8 % (81 of 125) |
Backbone | 52.1 % (241 of 463) | 46.8 % (162 of 346) | 67.5 % (79 of 117) |
Sidechain | 44.9 % (137 of 305) | 45.5 % (135 of 297) | 25.0 % (2 of 8) |
Aromatic | 0.0 % (0 of 52) | 0.0 % (0 of 52) | |
Methyl | 78.6 % (55 of 70) | 78.6 % (55 of 70) |
1. PDZ Domain of CAL
HHHHHHHHHH SSGHIEGRHM ENLYFQGIRK VLLLKEDHEG LGISITGGKE HGVPILISEI HPGQPADRCG GLHVGDAILA VNGVNLRDTK HKEAVTILSQ QRGEIEFEVV YV2. C-terminus of the CFTR
EEVQDTRLSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PDZ Domain of CAL | [U-100% 13C; U-100% 15N] | 1.0 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 | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | na | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | na | indirect | 0.1013291 |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PDZ Domain of CAL | [U-100% 13C; U-100% 15N] | 1.0 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Bruker Avance - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.8
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PDZ Domain of CAL | [U-100% 13C; U-100% 15N] | 1.0 mM | |
2 | H2O | natural abundance | 90 % | |
3 | D2O | natural abundance | 10 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_18205_2lob.nef |
Input source #2: Coordindates | 2lob.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-------100 HHHHHHHHHHSSGHIEGRHMENLYFQGIRKVLLLKEDHEGLGISITGGKEHGVPILISEIHPGQPADRCGGLHVGDAILAVNGVNLRDTKHKEAVTILSQ |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| HHHHHHHHHHSSGHIEGRHMENLYFQGIRKVLLLKEDHEGLGISITGGKEHGVPILISEIHPGQPADRCGGLHVGDAILAVNGVNLRDTKHKEAVTILSQ -------110-- QRGEIEFEVVYV |||||||||||| QRGEIEFEVVYV
-----120 EEVQDTRL |||||||| EEVQDTRL --------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 112 | 0 | 0 | 100.0 |
B | B | 8 | 0 | 0 | 100.0 |
Content subtype: combined_18205_2lob.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 HHHHHHHHHHSSGHIEGRHMENLYFQGIRKVLLLKEDHEGLGISITGGKEHGVPILISEIHPGQPADRCGGLHVGDAILAVNGVNLRDTKHKEAVTILSQ | || |||||||||| |||| |||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..............I.......LY..GIRKVLLLKE.HEGL.ISITGGKEHGVPILISEIHPGQPADRCGGLHVGDAILAVNGVNLRDTKHKEAVTILSQ -------110-- QRGEIEFEVVYV |||||||||||| QRGEIEFEVVYV
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 502 | 222 | 44.2 |
15N chemical shifts | 121 | 79 | 65.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 224 | 87 | 38.8 |
15N chemical shifts | 109 | 77 | 70.6 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 278 | 135 | 48.6 |
15N chemical shifts | 12 | 2 | 16.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 66 | 55 | 83.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 52 | 0 | 0.0 |
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 HHHHHHHHHHSSGHIEGRHMENLYFQGIRKVLLLKEDHEGLGISITGGKEHGVPILISEIHPGQPADRCGGLHVGDAILAVNGVNLRDTKHKEAVTILSQ |||||||||| ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| ..........................GIRKVLLLKE.HEGLGISITGGKEHGVPILISEIHPGQPADRCGGLHVGDAILAVNGVNLRDTKHKEAVTILSQ -------110-- QRGEIEFEVVYV |||||||||||| QRGEIEFEVVYV
-----120 EEVQDTRL ||||||| .EVQDTRL