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Three-dimensional structure of the N-terminal effector PYRIN domain of NLRP12
Authors
Pinheiro, A.S., Peti, W.
Assembly
NLRP12 PYD monomer
Entity
1. NLRP12 PYD monomer (polymer, Thiol state: all free), 102 monomers, 11704.28 Da Detail

GHMLRTAGRD GLCRLSTYLE ELEAVELKKF KLYLGTATEL GEGKIPWGSM EKAGPLEMAQ LLITHFGPEE AWRLALSTFE RINRKDLWER GQREDLVRDT VE


Formula weight
11704.28 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 98.0 %, Completeness: 90.6 %, Completeness (bb): 95.0 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All90.6 % (1096 of 1210)92.6 % (586 of 633)86.4 % (408 of 472)97.1 % (102 of 105)
Backbone95.0 % (576 of 606)95.7 % (202 of 211)93.9 % (278 of 296)97.0 % (96 of 99)
Sidechain87.6 % (610 of 696)91.0 % (384 of 422)82.1 % (220 of 268)100.0 % (6 of 6)
Aromatic56.7 % (51 of 90)95.6 % (43 of 45)11.9 % (5 of 42)100.0 % (3 of 3)
Methyl99.1 % (115 of 116)100.0 % (58 of 58)98.3 % (57 of 58)

1. NLRP12 PYD

GHMLRTAGRD GLCRLSTYLE ELEAVELKKF KLYLGTATEL GEGKIPWGSM EKAGPLEMAQ LLITHFGPEE AWRLALSTFE RINRKDLWER GQREDLVRDT VE

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 15N-labeled NLRP12 PYD sample


#NameIsotope labelingTypeConcentration
1NLRP12 PYD[U-99% 15N]600 uM
2sodium phosphatenatural abundance20 mM
3sodium chloridenatural abundance500 mM
4TCEPnatural abundance0.5 mM
5H2Onatural abundance90 %
6D2Onatural abundance10 %
Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details 13C/15N-labeled NLRP12 PYD sample


#NameIsotope labelingTypeConcentration
7NLRP12 PYD[U-99% 13C; U-99% 15N]600 uM
8sodium phosphatenatural abundance20 mM
9sodium chloridenatural abundance500 mM
10TCEPnatural abundance0.5 mM
11H2Onatural abundance90 %
12D2Onatural abundance10 %
Sample #3

Solvent system 100% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5, Details Unlabeled NLRP12 PYD sample


#NameIsotope labelingTypeConcentration
13NLRP12 PYDnatural abundance600 uM
14sodium phosphatenatural abundance20 mM
15sodium chloridenatural abundance500 mM
16TCEPnatural abundance0.5 mM
17D2Onatural abundance100 %

LACS Plot; CA
Referencing offset: -0.14 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: -0.14 ppm, Outliers: 1 Detail
LACS Plot; HA
Referencing offset: 0.16 ppm, Outliers: 1 Detail
LACS Plot; CO
Referencing offset: 2.38 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 20 models in PDB: 2L6A, Strand ID: A Detail


Release date
2011-12-01
Citation
The NLRP12 pyrin domain: structure, dynamics, and functional insights
Pinheiro, A.S., Eibl, C., Ekman-Vural, Z., Schwarzenbacher, R., Peti, W.
J. Mol. Biol. (2011), 413, 790-803, PubMed 21978668 , DOI 10.1016/j.jmb.2011.09.024 ,
Related entities 1. NLRP12 PYD monomer, : 1 : 4 : 29 entities Detail
Interaction partners 1. NLRP12 PYD monomer, : 24 interactors Detail
Experiments performed 15 experiments Detail
nullKeywords apoptosis, innate immunity, NLRP12 PYD, NMR, resonance assignment, death domain, NLRP12, PYRIN