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BMRB: 16620

2KR1

Solution NMR structure of zinc binding N-terminal domain of ubiquitin-protein ligase E3A from Homo Sapience. Northeast Structural Genomics Consortium (NESG) target HR3662A.

Authors

Lemak, A., Yee, A., Fares, C., Semesi, A., Xiao, R., Montelione, G., Arrowsmith, C.

Assembly

hs00184

Entity

1. hs00184 (polymer, Thiol state: free and other bound), 82 monomers, 9393.564 Da Detail

MHHHHHHSSG RENLYFQGMK RAAAKHLIER YYHQLTEGCG NEACTNEFCA SCPTFLRMDN NAAAIKALEL YKINAKLCDP HP

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

Total weight

9458.974 Da

Max. entity weight

9393.564 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

restrained molecular dynamics

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 80.5 %, Completeness: 70.5 %, Completeness (bb): 73.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	70.5 % (668 of 947)	72.2 % (356 of 493)	68.4 % (251 of 367)	70.1 % (61 of 87)
Backbone	73.7 % (358 of 486)	74.5 % (123 of 165)	74.0 % (179 of 242)	70.9 % (56 of 79)
Sidechain	68.5 % (369 of 539)	71.0 % (233 of 328)	65.0 % (132 of 203)	50.0 % (4 of 8)
Aromatic	34.7 % (34 of 98)	46.9 % (23 of 49)	22.4 % (11 of 49)
Methyl	93.9 % (62 of 66)	93.9 % (31 of 33)	93.9 % (31 of 33)

1. hs00184

MHHHHHHSSG RENLYFQGMK RAAAKHLIER YYHQLTEGCG NEACTNEFCA SCPTFLRMDN NAAAIKALEL YKINAKLCDP HP

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	hs00184	[U-13C; U-15N]	0.5 mM
2	mops	natural abundance	10 mM
3	sodium chloride	natural abundance	450 mM
4	ZnSO4	natural abundance	10 uM
5	DTT	natural abundance	10 mM
6	NaN3	natural abundance	0.01 %
7	benzamidine	natural abundance	10 mM
8	D2O	natural abundance	10 %
9	H2O	natural abundance	90 %

LACS Plot; CA

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

Referencing offset: 0.24 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 0.24 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.13 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.17 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2KR1, Strand ID: A Detail

Release date

2010-01-05

Citation

Solution structure of zinc binding domain of human ubiquitin-protein ligase E3A isoform 2
Lemak, A., Yee, A., Fares, C., Semesi, A., Xiao, R., Montelione, G., Dhe-Paganon, S., Arrowsmith, C.
Not known

Related entities 1. hs00184, : 1 : 10 entities Detail

Interaction partners 1. hs00184, : 3 interactors Detail

More details for 3 interactors identified by 3 citations

Experiments performed 9 experiments Detail

1 3D HNCO