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BMRB: 16510

2KE1

The solution structure of the first PHD finger of autoimmune regulator in complex with non-modified histone H3 tail reveals the antagonistic role of H3R2 methylation

Authors

Chignola, F., Gaetani, M., Rebane, A., Org, T., Mollica, L., Zucchelli, C., Spitaleri, A., Mannella, V., Peterson, P., Musco, G.

Assembly

first PHD finger/non-modified histone H3 tail complex

Entity

1. first PHD finger (polymer, Thiol state: free and other bound), 66 monomers, 7138.043 Da Detail

GAMAQKNEDE CAVCRDGGEL ICCDGCPRAF HLACLSPPLR EIPSGTWRCS SCLQATVQEV QPRAEE

2. histone H3 tail (polymer, Thiol state: not present), 10 monomers, 1146.300 Da Detail

ARTKQTARKS

3. ZN (non-polymer, Thiol state: not present), 65.409 × 2 Da

Total weight

8415.161 Da

Max. entity weight

7138.043 Da

Entity Connection

disulfide 7 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS11:SG	3:ZN1:ZN
2	disulfide	sing	1:CYS14:SG	3:ZN1:ZN
3	disulfide	sing	1:CYS23:SG	3:ZN1:ZN
4	disulfide	sing	1:CYS26:SG	3:ZN1:ZN
5	disulfide	sing	1:CYS34:SG	3:ZN1:ZN
6	disulfide	sing	1:CYS49:SG	3:ZN1:ZN
7	disulfide	sing	1:CYS52:SG	3:ZN1:ZN

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.7 %, Completeness: 86.8 %, Completeness (bb): 85.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.8 % (716 of 825)	94.5 % (410 of 434)	76.7 % (240 of 313)	84.6 % (66 of 78)
Backbone	85.0 % (379 of 446)	96.1 % (146 of 152)	77.1 % (172 of 223)	85.9 % (61 of 71)
Sidechain	87.1 % (392 of 450)	93.6 % (264 of 282)	76.4 % (123 of 161)	71.4 % (5 of 7)
Aromatic	92.3 % (24 of 26)	100.0 % (13 of 13)	83.3 % (10 of 12)	100.0 % (1 of 1)
Methyl	93.9 % (62 of 66)	100.0 % (33 of 33)	87.9 % (29 of 33)

1. first PHD finger

GAMAQKNEDE CAVCRDGGEL ICCDGCPRAF HLACLSPPLR EIPSGTWRCS SCLQATVQEV QPRAEE

2. histone H3 tail

ARTKQTARKS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 295 K, pH 6.3

#	Name	Isotope labeling	Concentration
1	AIRE-PHD1	[U-99% 13C; U-99% 15N]	0.1 ~ 0.5 mM
2	H3K4me0	natural abundance	0.3 ~ 1.5 mM
3	sodium chloride	natural abundance	150 mM
4	sodium phosphate	natural abundance	20 mM
5	DTT	natural abundance	5 mM
6	H2O	natural abundance	90 %
7	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 295 K, pH 6.3

#	Name	Isotope labeling	Concentration
8	AIRE-PHD1	[U-99% 13C; U-99% 15N]	0.5 mM
9	H3K4me0	natural abundance	1.5 mM
10	sodium phosphate	natural abundance	20 mM
11	sodium chloride	natural abundance	150 mM
12	DTT	natural abundance	5 mM
13	D2O	natural abundance	100 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2KE1, Strand ID: A, B Detail

Release date

2009-10-05

Citation

The solution structure of the first PHD finger of autoimmune regulator in complex with non-modified histone H3 tail reveals the antagonistic role of H3R2 methylation
Chignola, F., Gaetani, M., Rebane, A., Org, T., Mollica, L., Zucchelli, C., Spitaleri, A., Mannella, V., Peterson, P., Musco, G.
Nucleic Acids Res. (2009), 37, 2951-2961, PubMed 19293276 , DOI 10.1093/nar/gkp166 , Abstract

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, : 43 entities Detail

Experiments performed 9 experiments Detail

1 3D 1H-15N NOESY