BMRB: 11012

1H, 13C and 15N resonance assignments for the 25.8 kDa DNA binding domain of the human p63 protein

Authors

Enthart, A., Kessler, H.

Assembly

p63BDB

Entity

1. p63BDB (polymer, Thiol state: free and other bound), 233 monomers, 25831.96 Da Detail

GSSTFDALSP SPAIPSNTDY PGPHSFDVSF QQSSTAKSAT WTYSTELKKL YCQIAKTCPI QIKVMTPPPQ GAVIRAMPVY KKAEHVTEVV KRCPNHELSR EFNEGQIAPP SHLIRVEGNS HAQYVEDPIT GRQSVLVPYE PPQVGTEFTT VLYNFMCNSS CVGGMNRRPI LIIVTLETRD GQVLGRRCFE ARICACPGRD RKADEDSIRK QQVSDSTKNG DAFRQNTHGI QMT

2. ZN (non-polymer), 65.409 Da

Total weight

25897.37 Da

Max. entity weight

25831.96 Da

Entity Connection

na 4 Detail

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ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS93:SG	2:ZN1:ZN
2	na	sing	1:HIS96:ND1	2:ZN1:ZN
3	na	sing	1:CYS157:SG	2:ZN1:ZN
4	na	sing	1:CYS161:SG	2: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: 87.8 %, Completeness (bb): 96.2 % Detail

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Polymer type: polypeptide(L)

	Total	1H	13C	15N
All	87.8 % (2336 of 2662)	87.4 % (1216 of 1392)	87.2 % (900 of 1032)	92.4 % (220 of 238)
Backbone	96.2 % (1309 of 1360)	96.3 % (444 of 461)	95.9 % (657 of 685)	97.2 % (208 of 214)
Sidechain	81.3 % (1236 of 1521)	82.9 % (772 of 931)	79.9 % (452 of 566)	50.0 % (12 of 24)
Aromatic	30.2 % (52 of 172)	48.8 % (42 of 86)	10.6 % (9 of 85)	100.0 % (1 of 1)
Methyl	99.6 % (227 of 228)	99.1 % (113 of 114)	100.0 % (114 of 114)

1. p63BDB

GSSTFDALSP SPAIPSNTDY PGPHSFDVSF QQSSTAKSAT WTYSTELKKL YCQIAKTCPI QIKVMTPPPQ GAVIRAMPVY KKAEHVTEVV KRCPNHELSR EFNEGQIAPP SHLIRVEGNS HAQYVEDPIT GRQSVLVPYE PPQVGTEFTT VLYNFMCNSS CVGGMNRRPI LIIVTLETRD GQVLGRRCFE ARICACPGRD RKADEDSIRK QQVSDSTKNG DAFRQNTHGI QMT

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
1	p63BDB	[U-15N]		0.7 (±0.1) mM
2	potassium chloride	natural abundance		50 mM
3	potassium phosphate	natural abundance		50 mM
4	DTT	natural abundance		5 mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8

#	Name	Isotope labeling	Type	Concentration
5	p63BDB	[U-13C; U-15N]		0.7 (±0.1) mM
6	potassium chloride	natural abundance		50 mM
7	potassium phosphate	natural abundance		50 mM
8	DTT	natural abundance		5 mM

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LACS Plot; CA

Referencing offset: 0.37 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	2.61 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CB

Referencing offset: 0.37 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	2.61 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; HA

Referencing offset: -0.09 ppm, Outliers: 2 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	2.61 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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LACS Plot; CO

Referencing offset: 0.12 ppm, Outliers: 3 Detail

Show chemical shift referencing parameters

Chemical shift reference

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
13C	DSS	methyl protons	2.61 ppm	null	indirect	0.2514495
1H	DSS	methyl protons	0.0 ppm	internal	direct	1.0
15N	DSS	methyl protons	0.0 ppm	null	indirect	0.1013291

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Protein Blocks Logo

Calculated from 21 models in PDB: 2RMN, Strand ID: A Detail

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Release date

2015-06-15

Citation

Structure and stability insights into tumour suppressor p53 evolutionary related proteins
Enthart, A., Furrer, J., Dehner, A., Kessler, H.
PLoS One (2013), 8, e76014-e76014, PubMed 24124530 , DOI 10.1371/journal.pone.0076014 , Abstract

Related entities 1. p63BDB, : 1 : 7 : 140 entities Detail

Interaction partners 1. p63BDB, : 22 interactors Detail

Experiments performed 6 experiments Detail