PigG holo
Polymer type: polypeptide(L)
Total | 1H | 13C | 15N | |
---|---|---|---|---|
All | 85.8 % (881 of 1027) | 80.9 % (429 of 530) | 89.5 % (359 of 401) | 96.9 % (93 of 96) |
Backbone | 88.6 % (468 of 528) | 80.6 % (145 of 180) | 91.2 % (239 of 262) | 97.7 % (84 of 86) |
Sidechain | 84.2 % (491 of 583) | 81.1 % (284 of 350) | 88.8 % (198 of 223) | 90.0 % (9 of 10) |
Aromatic | 79.0 % (49 of 62) | 93.5 % (29 of 31) | 64.5 % (20 of 31) | |
Methyl | 87.9 % (102 of 116) | 82.8 % (48 of 58) | 93.1 % (54 of 58) |
1. entity 1
MLESKLINHI ATQFLDGEKD GLDSQTPLFE LNIVDSAAIF DLVDFLRQES KVSIGMQEIH PANFATVQSM VALVQRLKAH PEQGGAALESolvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 1.5 mM [U-13C; U-15N] PigG, 50 mM KPi, 5 mM TCEP, .1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PigG | [U-13C; U-15N] | 1.5 mM | |
2 | KPi | natural abundance | 50 mM | |
3 | TCEP | natural abundance | 5 mM | |
4 | sodium azide | natural abundance | .1 % |
Varian vs800 - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 1.5 mM [U-13C; U-15N] PigG, 50 mM KPi, 5 mM TCEP, .1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PigG | [U-13C; U-15N] | 1.5 mM | |
2 | KPi | natural abundance | 50 mM | |
3 | TCEP | natural abundance | 5 mM | |
4 | sodium azide | natural abundance | .1 % |
Varian vs800 - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 1.5 mM [U-13C; U-15N] PigG, 50 mM KPi, 5 mM TCEP, .1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PigG | [U-13C; U-15N] | 1.5 mM | |
2 | KPi | natural abundance | 50 mM | |
3 | TCEP | natural abundance | 5 mM | |
4 | sodium azide | natural abundance | .1 % |
Varian vs800 - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 1.5 mM [U-13C; U-15N] PigG, 50 mM KPi, 5 mM TCEP, .1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PigG | [U-13C; U-15N] | 1.5 mM | |
2 | KPi | natural abundance | 50 mM | |
3 | TCEP | natural abundance | 5 mM | |
4 | sodium azide | natural abundance | .1 % |
Varian vs800 - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 1.5 mM [U-13C; U-15N] PigG, 50 mM KPi, 5 mM TCEP, .1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PigG | [U-13C; U-15N] | 1.5 mM | |
2 | KPi | natural abundance | 50 mM | |
3 | TCEP | natural abundance | 5 mM | |
4 | sodium azide | natural abundance | .1 % |
Varian vs800 - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 1.5 mM [U-13C; U-15N] PigG, 50 mM KPi, 5 mM TCEP, .1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PigG | [U-13C; U-15N] | 1.5 mM | |
2 | KPi | natural abundance | 50 mM | |
3 | TCEP | natural abundance | 5 mM | |
4 | sodium azide | natural abundance | .1 % |
Varian vs800 - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 1.5 mM [U-13C; U-15N] PigG, 50 mM KPi, 5 mM TCEP, .1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PigG | [U-13C; U-15N] | 1.5 mM | |
2 | KPi | natural abundance | 50 mM | |
3 | TCEP | natural abundance | 5 mM | |
4 | sodium azide | natural abundance | .1 % |
Varian vs800 - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 1.5 mM [U-13C; U-15N] PigG, 50 mM KPi, 5 mM TCEP, .1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PigG | [U-13C; U-15N] | 1.5 mM | |
2 | KPi | natural abundance | 50 mM | |
3 | TCEP | natural abundance | 5 mM | |
4 | sodium azide | natural abundance | .1 % |
Varian vs800 - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 1.5 mM [U-13C; U-15N] PigG, 50 mM KPi, 5 mM TCEP, .1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PigG | [U-13C; U-15N] | 1.5 mM | |
2 | KPi | natural abundance | 50 mM | |
3 | TCEP | natural abundance | 5 mM | |
4 | sodium azide | natural abundance | .1 % |
Varian vs800 - 800 MHz
State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.4, Details 1.5 mM [U-13C; U-15N] PigG, 50 mM KPi, 5 mM TCEP, .1 % sodium azide, 90% H2O/10% D2O
# | Name | Isotope labeling | Type | Concentration |
---|---|---|---|---|
1 | PigG | [U-13C; U-15N] | 1.5 mM | |
2 | KPi | natural abundance | 50 mM | |
3 | TCEP | natural abundance | 5 mM | |
4 | sodium azide | natural abundance | .1 % |
Properties
Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints | combined_30066_5jdx.nef |
Input source #2: Coordindates | 5jdx.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 | True (see coodinates for details) |
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)
Ptnr_site_1 | Ptnr_site_2 | Redox_state_prediction_1 | Redox_state_prediction_2 | Distance (Ã…) |
---|---|---|---|---|
1:36:SER:OG | 2:1:PNS:P24 | unknown | unknown | n/a |
Non-standard residues
Chain_ID | Seq_ID | Comp_ID | Chem_comp_name | Experimental evidences |
---|---|---|---|---|
B | 1 | PNS | 4'-PHOSPHOPANTETHEINE | Assigned chemical shifts |
Sequence alignments
--------10--------20--------30--------40--------50--------60--------70--------80--------- MLESKLINHIATQFLDGEKDGLDSQTPLFELNIVDSAAIFDLVDFLRQESKVSIGMQEIHPANFATVQSMVALVQRLKAHPEQGGAALE ||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| MLESKLINHIATQFLDGEKDGLDSQTPLFELNIVDSAAIFDLVDFLRQESKVSIGMQEIHPANFATVQSMVALVQRLKAHPEQGGAALE
Chain assignments
Entity_assembly_ID (NMR) | Auth_asym_ID (model) | Length | Unmapped | Conflict | Sequence coverage (%) |
---|---|---|---|---|---|
A | A | 89 | 0 | 0 | 100.0 |
Content subtype: combined_30066_5jdx.nef
Assigned chemical shifts
--------10--------20--------30--------40--------50--------60--------70--------80--------- MLESKLINHIATQFLDGEKDGLDSQTPLFELNIVDSAAIFDLVDFLRQESKVSIGMQEIHPANFATVQSMVALVQRLKAHPEQGGAALE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .LESKLINHIATQFLDGEKDGLDSQTPLFELNIVDSAAIFDLVDFLRQESKVSIGMQEIHPANFATVQSMVALVQRLKAHPEQGGAALE
- X | X
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 530 | 508 | 95.8 |
13C chemical shifts | 401 | 374 | 93.3 |
15N chemical shifts | 98 | 93 | 94.9 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 180 | 175 | 97.2 |
13C chemical shifts | 178 | 169 | 94.9 |
15N chemical shifts | 86 | 84 | 97.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 350 | 333 | 95.1 |
13C chemical shifts | 223 | 205 | 91.9 |
15N chemical shifts | 12 | 9 | 75.0 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 61 | 60 | 98.4 |
13C chemical shifts | 61 | 59 | 96.7 |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|---|---|---|
1H chemical shifts | 31 | 29 | 93.5 |
13C chemical shifts | 31 | 20 | 64.5 |
Comp_index_ID | Comp_ID |
---|---|
1 | PNS |
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Atom group | # of target shifts | # of assigned shifts | Completeness (%) |
---|
Covalent bonds
Distance restraints
--------10--------20--------30--------40--------50--------60--------70--------80--------- MLESKLINHIATQFLDGEKDGLDSQTPLFELNIVDSAAIFDLVDFLRQESKVSIGMQEIHPANFATVQSMVALVQRLKAHPEQGGAALE |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||| .LESKLINHIATQFLDGEKDGLDSQTPLFELNIVDSAAIFDLVDFLRQESKVSIGMQEIHPANFATVQSMVALVQRLKAHPEQGGAALE