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BMRB: 6374


6374
1XWH
NMR STRUCTURE OF THE FIRST PHD FINGER OF AUTOIMMUNE REGULATOR PROTEIN (AIRE1): INSIGHTS INTO APECED
Authors
Bottomley, M., Stier, G., Krasotkina, J., Legube, G., Simon, B., Akhtar, A., Sattler, M., Musco, G.
Assembly
AIRE1-PHD1
Entity
1. first PHD finger of AIRE1 (polymer, Thiol state: free and other bound), 66 monomers, 7138.043 Da Detail

GAMAQKNEDE CAVCRDGGEL ICCDGCPRAF HLACLSPPLR EIPSGTWRCS SCLQATVQEV QPRAEE


2. ZN (non-polymer), 65.409 × 2 Da
Total weight
7268.861 Da
Max. entity weight
7138.043 Da
Entity Connection
na 8 Detail
IDTypeValue orderAtom ID 1Atom ID 2
1nasing1:CYS11:SG2:ZN1:ZN
2nasing1:CYS14:SG2:ZN1:ZN
3nasing1:HIS31:NE22:ZN1:ZN
4nasing1:CYS34:SG2:ZN1:ZN
5nasing1:CYS23:SG2:ZN1:ZN
6nasing1:CYS26:SG2:ZN1:ZN
7nasing1:CYS49:SG2:ZN1:ZN
8nasing1:CYS52:SG2:ZN1:ZN

Source organism
Homo sapiens
Exptl. method
NMR
Refine. method
Structures were calculated using ARIA (1.2) in combination with CNS
Data set
assigned_chemical_shifts, RDCs
Chem. Shift Complete1
Sequence coverage: 98.5 %, Completeness: 66.6 %, Completeness (bb): 53.9 % Detail
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Polymer type: polypeptide(L)

Total1H13C15N
All66.6 % (471 of 707)70.5 % (261 of 370)75.9 % (205 of 270) 7.5 % (5 of 67)
Backbone53.9 % (208 of 386)56.8 % (75 of 132)66.3 % (128 of 193) 8.2 % (5 of 61)
Sidechain83.5 % (319 of 382)77.3 % (184 of 238)97.8 % (135 of 138) 0.0 % (0 of 6)
Aromatic84.6 % (22 of 26)76.9 % (10 of 13)100.0 % (12 of 12) 0.0 % (0 of 1)
Methyl96.6 % (56 of 58)93.1 % (27 of 29)100.0 % (29 of 29)

1. first PHD finger of AIRE1

GAMAQKNEDE CAVCRDGGEL ICCDGCPRAF HLACLSPPLR EIPSGTWRCS SCLQATVQEV QPRAEE

Show sample condition
Sample

Temperature 295 (±1) K


#NameIsotope labelingTypeConcentration
1first PHD finger of AIRE1[U-13C; U-15N]1 mM
2NaCl150 mM
3phosphate20 mM
4DTT5 mM

Chem. Shift Complete2
Sequence coverage: 98.5 %, Completeness: 60.3 %, Completeness (bb): 53.2 % Detail
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Polymer type: polypeptide(L)

Total1H13C15N
All60.3 % (852 of 1414)75.8 % (561 of 740)41.5 % (224 of 540)50.0 % (67 of 134)
Backbone53.2 % (411 of 772)76.9 % (203 of 264)37.0 % (143 of 386)53.3 % (65 of 122)
Sidechain65.6 % (501 of 764)74.8 % (356 of 476)51.8 % (143 of 276)16.7 % (2 of 12)
Aromatic65.4 % (34 of 52)80.8 % (21 of 26)50.0 % (12 of 24)50.0 % (1 of 2)
Methyl73.3 % (85 of 116)91.4 % (53 of 58)55.2 % (32 of 58)

1. first PHD finger of AIRE1

GAMAQKNEDE CAVCRDGGEL ICCDGCPRAF HLACLSPPLR EIPSGTWRCS SCLQATVQEV QPRAEE

Show sample condition
Sample

Temperature 295 (±1) K


#NameIsotope labelingTypeConcentration
1first PHD finger of AIRE1[U-13C; U-15N]1 mM
2NaCl150 mM
3phosphate20 mM
4DTT5 mM

Protein Blocks Logo
Calculated from 20 models in PDB: 1XWH, Strand ID: A Detail

RDC
42 RDC values in 1 lists
Field strength (1H) 0.0 MHz, Temperature 295 (±1) K Detail
Release date
2005-02-09
Citation
NMR structure of the first PHD finger of autoimmune regulator protein (AIRE1). Insights into autoimmune polyendocrinopathy-candidiasis-ectodermal dystrophy (APECED) disease
Bottomley, M.J., Stier, G., Pennacchini, D., Legube, G., Simon, B., Akhtar, A., Sattler, M., Musco, G.
J. Biol. Chem. (2005), 280, 11505-11512, PubMed 15649886 , DOI 10.1074/jbc.M413959200 ,
Entries sharing articles Swiss-Prot: 1 entries Detail
  Swiss-Prot: O43918 released on 1998-07-15
    Title AIRE_HUMAN Entity Autoimmune regulator
Related entities 1. first PHD finger of AIRE1, : 1 : 1 : 1 : 105 entities Detail
More details for 108 related entities
Interaction partners 1. first PHD finger of AIRE1, : 14 interactors Detail
More details for 14 interactors identified by 3 citations
Experiments performed 7 experiments Detail
nullKeywords Aire1, autoimmune polyendocrinopathy ectodermal dystrophy, PHD finger, Zn binding domain