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NMR structure of the second PHD finger of AIRE (AIRE-PHD2)
Authors
Gaetani, M., Chignola, F., Mollica, L., Quilici, G., Mannella, V., Spiliotopoulos, D., Musco, G.
Assembly
AIRE-PHD2
Entity
1. AIRE-PHD2 (polymer), 66 monomers, 6801.609 Da Detail

GAMEGQQNLA PGARCGVCGD GTDVLRCTHC AAAFHWRCHF PAGTSRPGTG LRCRSCSGDV TPAPVE


2. ZINC ION (non-polymer, Thiol state: not present), 65.409 × 2 Da
Total weight
6932.427 Da
Max. entity weight
6801.609 Da
Source organism
Homo sapiens
Exptl. method
solution NMR
Refine. method
simulated annealing
Data set
assigned_chemical_shifts
Chem. Shift Complete
Sequence coverage: 100.0 %, Completeness: 88.0 %, Completeness (bb): 83.2 % Detail

Polymer type: polypeptide(L)

Total1H13C15N
All88.0 % (587 of 667)95.3 % (327 of 343)76.1 % (197 of 259)96.9 % (63 of 65)
Backbone83.2 % (321 of 386)97.1 % (133 of 137)67.6 % (127 of 188)100.0 % (61 of 61)
Sidechain95.5 % (322 of 337)94.2 % (194 of 206)99.2 % (126 of 127)50.0 % (2 of 4)
Aromatic100.0 % (44 of 44)100.0 % (22 of 22)100.0 % (21 of 21)100.0 % (1 of 1)
Methyl100.0 % (54 of 54)100.0 % (27 of 27)100.0 % (27 of 27)

1. AIRE-PHD2

GAMEGQQNLA PGARCGVCGD GTDVLRCTHC AAAFHWRCHF PAGTSRPGTG LRCRSCSGDV TPAPVE

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 K, pH 6.5, Details 50mM sodium phosphate pH6.5, 0.15M NaCl, 5mM DTT, 50 M ZnCl2, 0.02% NaN3


#NameIsotope labelingTypeConcentration
1AIRE-PHD2[U-100% 13C; U-100% 15N]0.4 ~ 0.8 mM
2ZINC IONnatural abundance50 uM
3DTTnatural abundance5 mM
4sodium phosphatenatural abundance50 mM
5sodium chloridenatural abundance0.15 M
6sodium azidenatural abundance0.02 %
7D2Onatural abundance10 %
8H2Onatural abundance90 %
Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 295 K, pH 6.5, Details 50mM sodium phosphate pH6.5, 0.15M NaCl, 5mM DTT, 50 M ZnCl2, 0.02% NaN3


#NameIsotope labelingTypeConcentration
9AIRE-PHD2[U-100% 13C; U-100% 15N]0.4 ~ 0.8 mM
10DTTnatural abundance5 mM
11ZINC IONnatural abundance50 uM
12sodium phosphatenatural abundance50 mM
13sodium chloridenatural abundance0.15 M
14sodium azidenatural abundance0.02 %
15D2Onatural abundance100 %
Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 K, pH 6.5, Details 50mM sodium phosphate pH6.5, 0.15M NaCl, 5mM DTT, 50 M ZnCl2, 0.02% NaN3


#NameIsotope labelingTypeConcentration
16AIRE-PHD2[U-100% 15N]0.4 ~ 0.8 mM
17DTTnatural abundance5 mM
18ZINC IONnatural abundance50 uM
19sodium phosphatenatural abundance50 mM
20sodium chloridenatural abundance0.15 M
21sodium azidenatural abundance0.02 %
22D2Onatural abundance10 %
23H2Onatural abundance90 %
Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 K, pH 6.5, Details 50mM sodium phosphate pH6.5, 0.15M NaCl, 5mM DTT, 50 M ZnCl2, 0.02% NaN3


#NameIsotope labelingTypeConcentration
24AIRE-PHD2natural abundance0.4 ~ 0.8 mM
25DTTnatural abundance5 mM
26ZINC IONnatural abundance50 uM
27sodium phosphatenatural abundance50 mM
28sodium chloridenatural abundance0.15 M
29sodium azidenatural abundance0.02 %
30D2Onatural abundance10 %
31H2Onatural abundance90 %
Sample #5

Solvent system 100% D2O, Pressure 1 atm, Temperature 295 K, pH 6.5, Details 50mM sodium phosphate pH6.5, 0.15M NaCl, 5mM DTT, 50 M ZnCl2, 0.02% NaN3


#NameIsotope labelingTypeConcentration
32AIRE-PHD2natural abundance0.4 ~ 0.8 mM
33DTTnatural abundance5 mM
34ZINC IONnatural abundance50 uM
35sodium phosphatenatural abundance50 mM
36sodium chloridenatural abundance0.15 M
37sodium azidenatural abundance0.02 %
38D2Onatural abundance100 %

LACS Plot; CA
Referencing offset: -0.04 ppm, Outliers: 1 Detail
LACS Plot; CB
Referencing offset: -0.04 ppm, Outliers: 1 Detail
LACS Plot; HA
Referencing offset: 0.06 ppm, Outliers: 1 Detail
Protein Blocks Logo
Calculated from 50 models in PDB: 2LRI, Strand ID: C Detail


Release date
2012-10-11
Citation
AIRE-PHD fingers are structural hubs to maintain the integrity of chromatin-associated interactome
Gaetani, M., Matafora, V., Saare, M., Spiliotopoulos, D., Mollica, L., Quilici, G., Chignola, F., Mannella, V., Zucchelli, C., Peterson, P., Bachi, A., Musco, G.
Nucleic Acids Res. (2012), 40, 11756-11768, PubMed 23074189 , DOI 10.1093/nar/gks933 ,
Related entities 1. AIRE-PHD2, : 1 : 2 : 9 entities Detail
Interaction partners 1. AIRE-PHD2, : 13 interactors Detail
Experiments performed 15 experiments Detail
NMR combined restraints 5 contents Detail
Keywords AIRE, APECED, PHD finger, Zn binding protein domain