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BMRB: 25249

5LG0

1H, 13C, and 15N Chemical Shift Assignments for the W972A mutant of Arkadia (RNF111) E3 RING domain

Authors

Chasapis, C.T., Birkou, M., Herrmann, T., Episkopou, V., Bentrop, D.T., Spyroulias, G.A.

Assembly

RING Finger monomer

Entity

1. W972A (polymer, Thiol state: all free), 69 monomers, 7835.826 Da Detail

MKQDGEEGTE EDTEEKCTIC LSILEEGEDV RRLPCMHLFH QVCVDQALIT NKKCPICRVD IEAQLPSES

2. ZINC ION (non-polymer), 65.409 Da

Total weight

7901.2354 Da

Max. entity weight

7835.826 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

molecular mechanics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.8 %, Completeness: 55.6 %, Completeness (bb): 61.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	55.6 % (435 of 783)	49.6 % (204 of 411)	55.8 % (168 of 301)	88.7 % (63 of 71)
Backbone	61.8 % (252 of 408)	48.6 % (67 of 138)	60.8 % (124 of 204)	92.4 % (61 of 66)
Sidechain	54.4 % (240 of 441)	50.2 % (137 of 273)	62.0 % (101 of 163)	40.0 % (2 of 5)
Aromatic	0.0 % (0 of 18)	0.0 % (0 of 9)	0.0 % (0 of 9)
Methyl	29.2 % (21 of 72)	0.0 % (0 of 36)	58.3 % (21 of 36)

1. W972A

MKQDGEEGTE EDTEEKCTIC LSILEEGEDV RRLPCMHLFH QVCVDQALIT NKKCPICRVD IEAQLPSES

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	W972A	[U-99% 15N]	0.6 mM
2	phosphate buffer	natural abundance	50 mM
3	H20	natural abundance	90 %
4	D20	natural abundance	10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
5	W972A	[U-98% 13C; U-98% 15N]	0.6 mM
6	phosphate buffer	natural abundance	50 mM
7	H20	natural abundance	90 %
8	D20	natural abundance	10 %

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
³¹P	DSS	methyl protons	na	indirect	0.4048086

Referencing offset: -0.05 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
³¹P	DSS	methyl protons	na	indirect	0.4048086

Referencing offset: -0.05 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
³¹P	DSS	methyl protons	na	indirect	0.4048086

Referencing offset: 0.05 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 31 models in PDB: 5LG0, Strand ID: A Detail

Release date

2014-09-24

Citation

A residue-specific insight into the Arkadia E3 ubiquitin ligase activity and conformational plasticity
Birkou, M., Chasapis, C.T., Herrmann, T., Episkopou, V., Bentrop, D., Spyroulias, G.A.
J. Mol. Biol. (2017), PubMed 28647409 , DOI 10.1016/j.jmb.2017.06.012 , Abstract

Related entities 1. W972A, : 1 : 9 : 131 entities Detail

Interaction partners 1. W972A, : 38 interactors Detail

More details for 38 interactors identified by 11 citations

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC