BMRB: 16878

NMR Structure of AIRE PHD Finger

Authors

Chakravarty, S., Zeng, L., ZHOU, M.

Assembly

Reecognition of H3 by the PHD Finger

Entity

1. AIRE PHD finger 1 (polymer, Thiol state: free and other bound), 56 monomers, 6013.776 Da Detail

GSKNEDECAV CRDGGELICC DGCPRAFHLA CLSPPLREIP SGTWRCSSCL QATVQE

2. Histone H3 1-20Cys (polymer, Thiol state: all free), 21 monomers, 2286.658 Da Detail

ARTKQTARKS TGGKAPRKQL C

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

Total weight

8431.252 Da

Max. entity weight

6013.776 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 70.1 %, Completeness: 57.9 %, Completeness (bb): 56.6 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	57.9 % (484 of 836)	61.5 % (271 of 441)	52.4 % (166 of 317)	60.3 % (47 of 78)
Backbone	56.6 % (256 of 452)	66.7 % (104 of 156)	47.3 % (106 of 224)	63.9 % (46 of 72)
Sidechain	61.2 % (278 of 454)	58.6 % (167 of 285)	67.5 % (110 of 163)	16.7 % (1 of 6)
Aromatic	84.6 % (22 of 26)	84.6 % (11 of 13)	83.3 % (10 of 12)	100.0 % (1 of 1)
Methyl	75.0 % (48 of 64)	75.0 % (24 of 32)	75.0 % (24 of 32)

1. AIRE PHD finger 1

GSKNEDECAV CRDGGELICC DGCPRAFHLA CLSPPLREIP SGTWRCSSCL QATVQE

2. Histone H3 1-20Cys

ARTKQTARKS TGGKAPRKQL C

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 10mM phosphate buffer, pH 7.0; 250mM NaCl,

#	Name	Isotope labeling	Type	Concentration
1	AIRE PHD finger 1	[U-100% 15N]		0.5 mM
2	phosphate buffer	natural abundance		10 mM
3	NaCl	natural abundance		250 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

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LACS Plot; CA

Referencing offset: -0.49 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	water	protons	42.0 ppm	internal	direct	0.0
1H	water	protons	4.73 ppm	internal	direct	1.0
15N	water	nitrogen	118.0 ppm	internal	direct	1.0

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LACS Plot; CB

Referencing offset: -0.49 ppm, Outliers: 1 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	water	protons	42.0 ppm	internal	direct	0.0
1H	water	protons	4.73 ppm	internal	direct	1.0
15N	water	nitrogen	118.0 ppm	internal	direct	1.0

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LACS Plot; HA

Referencing offset: 0.03 ppm, Outliers: 4 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	water	protons	42.0 ppm	internal	direct	0.0
1H	water	protons	4.73 ppm	internal	direct	1.0
15N	water	nitrogen	118.0 ppm	internal	direct	1.0

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Protein Blocks Logo

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

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Release date

2010-07-26

Citation

Structure and site-specific recognition of histone H3 by the PHD finger of human autoimmune regulator
Chakravarty, S., Zeng, L., Zhou, M.
Structure (2009), 17, 670-679, PubMed 19446523 , DOI 10.1016/j.str.2009.02.017 , Abstract

Related entities 1. AIRE PHD finger 1, : 1 : 4 : 266 entities Detail

Related entities 2. Histone H3 1-20Cys, : 119 : 23 entities Detail

Interaction partners 1. AIRE PHD finger 1, : 13 : 1 interactors Detail

Interaction partners 2. Histone H3 1-20Cys, : 2 interactors Detail

Experiments performed 7 experiments Detail