Consensus engineered intein (Cat) with atypical split site
DYKDDDDKMF KLNTKNIKVL TPSGFKSFSG IQKVYKPFYH HIIFDDGSEI KCSDNHSFGK DKIKASTIKV GDYLQGKKVL YNEIVEEGIY LYDLLNVGED NLYYTNGIVS HACESRGK
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 90.5 % (1628 of 1799) | 91.8 % (859 of 936) | 88.3 % (621 of 703) | 92.5 % (148 of 160) |
Backbone | 95.8 % (864 of 902) | 95.5 % (298 of 312) | 96.1 % (424 of 441) | 95.3 % (142 of 149) |
Sidechain | 86.7 % (898 of 1036) | 89.9 % (561 of 624) | 82.5 % (331 of 401) | 54.5 % (6 of 11) |
Aromatic | 55.4 % (92 of 166) | 73.5 % (61 of 83) | 37.3 % (31 of 83) | |
Methyl | 98.1 % (151 of 154) | 97.4 % (75 of 77) | 98.7 % (76 of 77) |
1. Consensus engineered intein CatN
EFEALSGDTM IEILDDDGII QKISMEDLYQ RLA2. Consensus engineered intein CatC
DYKDDDDKMF KLNTKNIKVL TPSGFKSFSG IQKVYKPFYH HIIFDDGSEI KCSDNHSFGK DKIKASTIKV GDYLQGKKVL YNEIVEEGIY LYDLLNVGED NLYYTNGIVS HACESRGKSolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.8, Details 300 uM [U-99% 13C; U-99% 15N] CatN, 300 uM [U-99% 13C; U-99% 15N] CatC, 50 mM sodium phosphate, 100 mM sodium chloride, 2 mM TCEP, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CatN | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | CatC | [U-99% 13C; U-99% 15N] | 300 uM | |
3 | sodium phosphate | natural abundance | 50 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | TCEP | natural abundance | 2 mM |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Atom type | Mol. common name | Atom group | Value | Ref. method | Ref. type | Shift ratio |
---|---|---|---|---|---|---|
13C | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.2514495 |
1H | DSS | methyl protons | 0.0 ppm | internal | direct | 1.0 |
15N | DSS | methyl protons | 0.0 ppm | internal | indirect | 0.1013291 |
Bruker AvanceIII - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.8, Details 300 uM [U-99% 13C; U-99% 15N] CatN, 300 uM [U-99% 13C; U-99% 15N] CatC, 50 mM sodium phosphate, 100 mM sodium chloride, 2 mM TCEP, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CatN | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | CatC | [U-99% 13C; U-99% 15N] | 300 uM | |
3 | sodium phosphate | natural abundance | 50 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | TCEP | natural abundance | 2 mM |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.8, Details 300 uM [U-99% 13C; U-99% 15N] CatN, 300 uM [U-99% 13C; U-99% 15N] CatC, 50 mM sodium phosphate, 100 mM sodium chloride, 2 mM TCEP, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CatN | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | CatC | [U-99% 13C; U-99% 15N] | 300 uM | |
3 | sodium phosphate | natural abundance | 50 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | TCEP | natural abundance | 2 mM |
Bruker AvanceIII - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.8, Details 300 uM [U-99% 13C; U-99% 15N] CatN, 300 uM [U-99% 13C; U-99% 15N] CatC, 50 mM sodium phosphate, 100 mM sodium chloride, 2 mM TCEP, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CatN | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | CatC | [U-99% 13C; U-99% 15N] | 300 uM | |
3 | sodium phosphate | natural abundance | 50 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | TCEP | natural abundance | 2 mM |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.8, Details 300 uM [U-99% 13C; U-99% 15N] CatN, 300 uM [U-99% 13C; U-99% 15N] CatC, 50 mM sodium phosphate, 100 mM sodium chloride, 2 mM TCEP, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CatN | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | CatC | [U-99% 13C; U-99% 15N] | 300 uM | |
3 | sodium phosphate | natural abundance | 50 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | TCEP | natural abundance | 2 mM |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.8, Details 300 uM [U-99% 13C; U-99% 15N] CatN, 300 uM [U-99% 13C; U-99% 15N] CatC, 50 mM sodium phosphate, 100 mM sodium chloride, 2 mM TCEP, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CatN | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | CatC | [U-99% 13C; U-99% 15N] | 300 uM | |
3 | sodium phosphate | natural abundance | 50 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | TCEP | natural abundance | 2 mM |
Bruker AvanceIII - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.8, Details 300 uM [U-99% 13C; U-99% 15N] CatN, 300 uM [U-99% 13C; U-99% 15N] CatC, 50 mM sodium phosphate, 100 mM sodium chloride, 2 mM TCEP, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CatN | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | CatC | [U-99% 13C; U-99% 15N] | 300 uM | |
3 | sodium phosphate | natural abundance | 50 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | TCEP | natural abundance | 2 mM |
Bruker AvanceIII - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.8, Details 300 uM [U-99% 13C; U-99% 15N] CatN, 300 uM [U-99% 13C; U-99% 15N] CatC, 50 mM sodium phosphate, 100 mM sodium chloride, 2 mM TCEP, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CatN | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | CatC | [U-99% 13C; U-99% 15N] | 300 uM | |
3 | sodium phosphate | natural abundance | 50 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | TCEP | natural abundance | 2 mM |
Bruker AvanceIII - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.8, Details 300 uM [U-99% 13C; U-99% 15N] CatN, 300 uM [U-99% 13C; U-99% 15N] CatC, 50 mM sodium phosphate, 100 mM sodium chloride, 2 mM TCEP, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CatN | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | CatC | [U-99% 13C; U-99% 15N] | 300 uM | |
3 | sodium phosphate | natural abundance | 50 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | TCEP | natural abundance | 2 mM |
Bruker AvanceIII - 900 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.8, Details 300 uM [U-99% 13C; U-99% 15N] CatN, 300 uM [U-99% 13C; U-99% 15N] CatC, 50 mM sodium phosphate, 100 mM sodium chloride, 2 mM TCEP, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CatN | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | CatC | [U-99% 13C; U-99% 15N] | 300 uM | |
3 | sodium phosphate | natural abundance | 50 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | TCEP | natural abundance | 2 mM |
Bruker DRX - 600 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 310 K, pH 6.8, Details 300 uM [U-99% 13C; U-99% 15N] CatN, 300 uM [U-99% 13C; U-99% 15N] CatC, 50 mM sodium phosphate, 100 mM sodium chloride, 2 mM TCEP, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | CatN | [U-99% 13C; U-99% 15N] | 300 uM | |
2 | CatC | [U-99% 13C; U-99% 15N] | 300 uM | |
3 | sodium phosphate | natural abundance | 50 mM | |
4 | sodium chloride | natural abundance | 100 mM | |
5 | TCEP | natural abundance | 2 mM |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_30480_6dsl.nef |
Input source #2: Coordindates | 6dsl.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 EFEALSGDTMIEILDDDGIIQKISMEDLYQRLA ||||||||||||||||||||||||||||||||| EFEALSGDTMIEILDDDGIIQKISMEDLYQRLA --------10--------20--------30---
------30--------40--------50--------60--------70--------80--------90-------100-------110-------120-- DYKDDDDKMFKLNTKNIKVLTPSGFKSFSGIQKVYKPFYHHIIFDDGSEIKCSDNHSFGKDKIKASTIKVGDYLQGKKVLYNEIVEEGIYLYDLLNVGED |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| DYKDDDDKMFKLNTKNIKVLTPSGFKSFSGIQKVYKPFYHHIIFDDGSEIKCSDNHSFGKDKIKASTIKVGDYLQGKKVLYNEIVEEGIYLYDLLNVGED --------10--------20--------30--------40--------50--------60--------70--------80--------90-------100 -----130-------140 NLYYTNGIVSHACESRGK |||||||||||||||||| NLYYTNGIVSHACESRGK -------110--------
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 33 | 0 | 0 | 100.0 |
B | B | 118 | 0 | 0 | 100.0 |
Content subtype: combined_30480_6dsl.nef
Assigned chemical shifts
-----------10--------20--------30 EFEALSGDTMIEILDDDGIIQKISMEDLYQRLA ||||||||||||||||||||||||||||||| ..EALSGDTMIEILDDDGIIQKISMEDLYQRLA
------30--------40--------50--------60--------70--------80--------90-------100-------110-------120-- DYKDDDDKMFKLNTKNIKVLTPSGFKSFSGIQKVYKPFYHHIIFDDGSEIKCSDNHSFGKDKIKASTIKVGDYLQGKKVLYNEIVEEGIYLYDLLNVGED ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .YKDDDDKMFKLNTKNIKVLTPSGFKSFSGIQKVYKPFYHHIIFDDGSEIKCSDNHSFGKDKIKASTIKVGDYLQGKKVLYNEIVEEGIYLYDLLNVGED -----130-------140 NLYYTNGIVSHACESRGK |||||||||||||||||| NLYYTNGIVSHACESRGK
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 149 | 131 | 87.9 |
1H chemical shifts | 197 | 170 | 86.3 |
15N chemical shifts | 36 | 30 | 83.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 66 | 61 | 92.4 |
1H chemical shifts | 68 | 62 | 91.2 |
15N chemical shifts | 33 | 30 | 90.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 83 | 70 | 84.3 |
1H chemical shifts | 129 | 108 | 83.7 |
15N chemical shifts | 3 | 0 | 0.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 23 | 23 | 100.0 |
1H chemical shifts | 23 | 23 | 100.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 9 | 2 | 22.2 |
1H chemical shifts | 9 | 4 | 44.4 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 554 | 486 | 87.7 |
1H chemical shifts | 739 | 682 | 92.3 |
15N chemical shifts | 126 | 115 | 91.3 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 236 | 228 | 96.6 |
1H chemical shifts | 244 | 235 | 96.3 |
15N chemical shifts | 116 | 110 | 94.8 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 318 | 258 | 81.1 |
1H chemical shifts | 495 | 447 | 90.3 |
15N chemical shifts | 10 | 5 | 50.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 57 | 56 | 98.2 |
1H chemical shifts | 57 | 56 | 98.2 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
13C chemical shifts | 74 | 29 | 39.2 |
1H chemical shifts | 74 | 57 | 77.0 |
Distance restraints
-----------10--------20--------30 EFEALSGDTMIEILDDDGIIQKISMEDLYQRLA |||||||||||||||||||||||||||||| ...ALSGDTMIEILDDDGIIQKISMEDLYQRLA
------30--------40--------50--------60--------70--------80--------90-------100-------110-------120-- DYKDDDDKMFKLNTKNIKVLTPSGFKSFSGIQKVYKPFYHHIIFDDGSEIKCSDNHSFGKDKIKASTIKVGDYLQGKKVLYNEIVEEGIYLYDLLNVGED ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .YKDDDDKMFKLNTKNIKVLTPSGFKSFSGIQKVYKPFYHHIIFDDGSEIKCSDNHSFGKDKIKASTIKVGDYLQGKKVLYNEIVEEGIYLYDLLNVGED -----130-------140 NLYYTNGIVSHACESRGK |||||||||||||||||| NLYYTNGIVSHACESRGK