BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	86.1 % (1238 of 1438)	93.3 % (707 of 758)	75.9 % (419 of 552)	87.5 % (112 of 128)
Backbone	82.5 % (596 of 722)	96.4 % (238 of 247)	69.6 % (249 of 358)	93.2 % (109 of 117)
Sidechain	90.7 % (753 of 830)	91.8 % (469 of 511)	91.2 % (281 of 308)	27.3 % (3 of 11)
Aromatic	39.6 % (19 of 48)	54.2 % (13 of 24)	25.0 % (6 of 24)
Methyl	100.0 % (140 of 140)	100.0 % (70 of 70)	100.0 % (70 of 70)

1. entity 1

MQIFVKTLTG KTITLEVEPS DTIENVKAKI QDKEGIPPDQ QRLIFAGKQL EDGRTLSDYN IQKESTLHLV LRLRGG

2. entity 2

GHMQVTKVDC PVCGVNIPES HINKHLDSCL SREEKKESLR SSVHKR

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 0.6 mM [U-100% 13C; U-100% 15N] RAD18, 3 mM Ubiquitin, 25 mM MES-Bis-TRIS, 50 mM KCl, 10 uM ZnCl2, 90% H2O/10% D2O.

#	Name	Isotope labeling	Concentration
1	KCl	natural abundance	50 mM
2	MES-Bis-TRIS	natural abundance	25 mM
3	RAD18	[U-100% 13C; U-100% 15N]	0.6 mM
4	Ubiquitin	natural abundance	3 mM
5	ZnCl2	natural abundance	10 uM

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 3 mM RAD18, 0.6 mM [U-100% 13C; U-100% 15N] Ubiquitin, 25 mM MES-Bis-TRIS, 50 mM KCl, 10 uM ZnCl2, 90% H2O/10% D2O.

#	Name	Isotope labeling	Concentration
6	KCl	natural abundance	50 mM
7	MES-Bis-TRIS	natural abundance	25 mM
8	RAD18	natural abundance	3 mM
9	Ubiquitin	[U-100% 13C; U-100% 15N]	0.6 mM
10	ZnCl2	natural abundance	10 uM

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 0.9 mM [U-15N] RAD18, 25 mM MES-Bis-TRIS, 50 mM KCl, 10 uM ZnCl2, 90% H2O/10% D2O.

#	Name	Isotope labeling	Concentration
11	KCl	natural abundance	50 mM
12	MES-Bis-TRIS	natural abundance	25 mM
13	RAD18	[U-15N]	0.9 mM
14	ZnCl2	natural abundance	10 uM

Sample #4

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 0.9 mM [U-100% 13C; U-100% 15N] RAD18, 25 mM MES-Bis-TRIS, 50 mM KCl, 10 uM ZnCl2, 90% H2O/10% D2O.

#	Name	Isotope labeling	Concentration
15	KCl	natural abundance	50 mM
16	MES-Bis-TRIS	natural abundance	25 mM
17	RAD18	[U-100% 13C; U-100% 15N]	0.9 mM
18	ZnCl2	natural abundance	10 uM

Sample #5

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 0.2 mM [U-100% 15N] RAD18, 1.0 mM Ubiquitin, 25 mM MES-Bis-TRIS, 50 mM KCl, 10 uM ZnCl2, 5 % Alkyl-polyethylene glycol (C12E5)/n-hexanol mixture, 90% H2O/10% D2O.

#	Name	Isotope labeling	Concentration
19	Alkyl-polyethylene glycol (C12E5)/n-hexanol mixture	natural abundance	5 %
20	KCl	natural abundance	50 mM
21	MES-Bis-TRIS	natural abundance	25 mM
22	RAD18	[U-100% 15N]	0.2 mM
23	Ubiquitin	natural abundance	1.0 mM
24	ZnCl2	natural abundance	10 uM

Sample #6

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 1.0 mM RAD18, 0.2 mM [U-100% 15N] Ubiquitin, 25 mM MES-Bis-TRIS, 50 mM KCl, 10 uM ZnCl2, 5 % Alkyl-polyethylene glycol (C12E5)/n-hexanol mixture, 90% H2O/10% D2O.

#	Name	Isotope labeling	Concentration
25	Alkyl-polyethylene glycol (C12E5)/n-hexanol mixture	natural abundance	5 %
26	KCl	natural abundance	50 mM
27	MES-Bis-TRIS	natural abundance	25 mM
28	RAD18	natural abundance	1.0 mM
29	Ubiquitin	[U-100% 15N]	0.2 mM
30	ZnCl2	natural abundance	10 uM

LACS Plot; CA

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

Referencing offset: -0.27 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: -0.27 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: 0.06 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 5VF0, Strand ID: A, B Detail

Release date

2017-05-07

Citation

Mechanisms of Ubiquitin-Nucleosome Recognition and Regulation of 53BP1 Chromatin Recruitment by RNF168/169 and RAD18
Hu, Q., Botuyan, M.V., Cui, G., Zhao, D., Mer, G.
Mol. Cell (2017), 66, 473-487, PubMed 28506460 , DOI 10.1016/j.molcel.2017.04.009 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 30275 released on 2017-05-08
Title Solution NMR structure of histone H2A-H2B mono-ubiquitylated at H2A Lys15 in complex with RNF169 (653-708)

Related entities 1. Polyubiquitin-B, E3 ubiquitin-protein ligase RAD18 (E.C.2.3.2.27), entity 1, : 92 : 6 : 46 : 182 entities Detail

Related entities 2. Polyubiquitin-B, E3 ubiquitin-protein ligase RAD18 (E.C.2.3.2.27), entity 2, : 1 : 1 : 9 entities Detail

Interaction partners 2. Polyubiquitin-B, E3 ubiquitin-protein ligase RAD18 (E.C.2.3.2.27), entity 2, : 28 interactors Detail

More details for 28 interactors identified by 13 citations

Experiments performed 29 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 0.9 mM [U-15N] RAD18, 25 mM MES-Bis-TRIS, 50 mM KCl, 10 uM ZnCl2, 90% H2O/10% D2O.

#	Name	Isotope labeling	Concentration
11	KCl	natural abundance	50 mM
12	MES-Bis-TRIS	natural abundance	25 mM
13	RAD18	[U-15N]	0.9 mM
14	ZnCl2	natural abundance	10 uM

2 2D 1H-15N HSQC

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 0.9 mM [U-100% 13C; U-100% 15N] RAD18, 25 mM MES-Bis-TRIS, 50 mM KCl, 10 uM ZnCl2, 90% H2O/10% D2O.

#	Name	Isotope labeling	Concentration
15	KCl	natural abundance	50 mM
16	MES-Bis-TRIS	natural abundance	25 mM
17	RAD18	[U-100% 13C; U-100% 15N]	0.9 mM
18	ZnCl2	natural abundance	10 uM

3 2D 1H-13C HSQC

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
15	KCl	natural abundance	50 mM
16	MES-Bis-TRIS	natural abundance	25 mM
17	RAD18	[U-100% 13C; U-100% 15N]	0.9 mM
18	ZnCl2	natural abundance	10 uM

4 2D 1H-13C HSQC

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 0.6 mM [U-100% 13C; U-100% 15N] RAD18, 3 mM Ubiquitin, 25 mM MES-Bis-TRIS, 50 mM KCl, 10 uM ZnCl2, 90% H2O/10% D2O.

#	Name	Isotope labeling	Concentration
1	KCl	natural abundance	50 mM
2	MES-Bis-TRIS	natural abundance	25 mM
3	RAD18	[U-100% 13C; U-100% 15N]	0.6 mM
4	Ubiquitin	natural abundance	3 mM
5	ZnCl2	natural abundance	10 uM

5 2D 1H-13C HSQC

Instrument

Bruker Avance III - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 3 mM RAD18, 0.6 mM [U-100% 13C; U-100% 15N] Ubiquitin, 25 mM MES-Bis-TRIS, 50 mM KCl, 10 uM ZnCl2, 90% H2O/10% D2O.

#	Name	Isotope labeling	Concentration
6	KCl	natural abundance	50 mM
7	MES-Bis-TRIS	natural abundance	25 mM
8	RAD18	natural abundance	3 mM
9	Ubiquitin	[U-100% 13C; U-100% 15N]	0.6 mM
10	ZnCl2	natural abundance	10 uM

6 2D 1H-15N HSQC

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	KCl	natural abundance	50 mM
2	MES-Bis-TRIS	natural abundance	25 mM
3	RAD18	[U-100% 13C; U-100% 15N]	0.6 mM
4	Ubiquitin	natural abundance	3 mM
5	ZnCl2	natural abundance	10 uM

7 2D 1H-15N HSQC

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
6	KCl	natural abundance	50 mM
7	MES-Bis-TRIS	natural abundance	25 mM
8	RAD18	natural abundance	3 mM
9	Ubiquitin	[U-100% 13C; U-100% 15N]	0.6 mM
10	ZnCl2	natural abundance	10 uM

8 3D CBCA(CO)NH

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
15	KCl	natural abundance	50 mM
16	MES-Bis-TRIS	natural abundance	25 mM
17	RAD18	[U-100% 13C; U-100% 15N]	0.9 mM
18	ZnCl2	natural abundance	10 uM

9 3D HNCACB

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
15	KCl	natural abundance	50 mM
16	MES-Bis-TRIS	natural abundance	25 mM
17	RAD18	[U-100% 13C; U-100% 15N]	0.9 mM
18	ZnCl2	natural abundance	10 uM

10 3D HBHA(CO)NH

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
15	KCl	natural abundance	50 mM
16	MES-Bis-TRIS	natural abundance	25 mM
17	RAD18	[U-100% 13C; U-100% 15N]	0.9 mM
18	ZnCl2	natural abundance	10 uM

11 3D HCCH-TOCSY

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
15	KCl	natural abundance	50 mM
16	MES-Bis-TRIS	natural abundance	25 mM
17	RAD18	[U-100% 13C; U-100% 15N]	0.9 mM
18	ZnCl2	natural abundance	10 uM

12 3D HNCACB

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	KCl	natural abundance	50 mM
2	MES-Bis-TRIS	natural abundance	25 mM
3	RAD18	[U-100% 13C; U-100% 15N]	0.6 mM
4	Ubiquitin	natural abundance	3 mM
5	ZnCl2	natural abundance	10 uM

13 3D CBCA(CO)NH

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	KCl	natural abundance	50 mM
2	MES-Bis-TRIS	natural abundance	25 mM
3	RAD18	[U-100% 13C; U-100% 15N]	0.6 mM
4	Ubiquitin	natural abundance	3 mM
5	ZnCl2	natural abundance	10 uM

14 3D HBHA(CO)NH

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	KCl	natural abundance	50 mM
2	MES-Bis-TRIS	natural abundance	25 mM
3	RAD18	[U-100% 13C; U-100% 15N]	0.6 mM
4	Ubiquitin	natural abundance	3 mM
5	ZnCl2	natural abundance	10 uM

15 3D HCCH-TOCSY

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	KCl	natural abundance	50 mM
2	MES-Bis-TRIS	natural abundance	25 mM
3	RAD18	[U-100% 13C; U-100% 15N]	0.6 mM
4	Ubiquitin	natural abundance	3 mM
5	ZnCl2	natural abundance	10 uM

16 3D CBCA(CO)NH

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
6	KCl	natural abundance	50 mM
7	MES-Bis-TRIS	natural abundance	25 mM
8	RAD18	natural abundance	3 mM
9	Ubiquitin	[U-100% 13C; U-100% 15N]	0.6 mM
10	ZnCl2	natural abundance	10 uM

17 3D HNCACB

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
6	KCl	natural abundance	50 mM
7	MES-Bis-TRIS	natural abundance	25 mM
8	RAD18	natural abundance	3 mM
9	Ubiquitin	[U-100% 13C; U-100% 15N]	0.6 mM
10	ZnCl2	natural abundance	10 uM

18 3D HBHA(CO)NH

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
6	KCl	natural abundance	50 mM
7	MES-Bis-TRIS	natural abundance	25 mM
8	RAD18	natural abundance	3 mM
9	Ubiquitin	[U-100% 13C; U-100% 15N]	0.6 mM
10	ZnCl2	natural abundance	10 uM

19 3D HCCH-TOCSY

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
6	KCl	natural abundance	50 mM
7	MES-Bis-TRIS	natural abundance	25 mM
8	RAD18	natural abundance	3 mM
9	Ubiquitin	[U-100% 13C; U-100% 15N]	0.6 mM
10	ZnCl2	natural abundance	10 uM

20 3D 1H-15N NOESY

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
11	KCl	natural abundance	50 mM
12	MES-Bis-TRIS	natural abundance	25 mM
13	RAD18	[U-15N]	0.9 mM
14	ZnCl2	natural abundance	10 uM

21 3D 1H-15N NOESY

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	KCl	natural abundance	50 mM
2	MES-Bis-TRIS	natural abundance	25 mM
3	RAD18	[U-100% 13C; U-100% 15N]	0.6 mM
4	Ubiquitin	natural abundance	3 mM
5	ZnCl2	natural abundance	10 uM

22 3D 1H-15N NOESY

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
6	KCl	natural abundance	50 mM
7	MES-Bis-TRIS	natural abundance	25 mM
8	RAD18	natural abundance	3 mM
9	Ubiquitin	[U-100% 13C; U-100% 15N]	0.6 mM
10	ZnCl2	natural abundance	10 uM

23 3D 1H-13C NOESY

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
15	KCl	natural abundance	50 mM
16	MES-Bis-TRIS	natural abundance	25 mM
17	RAD18	[U-100% 13C; U-100% 15N]	0.9 mM
18	ZnCl2	natural abundance	10 uM

24 3D 1H-13C NOESY

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	KCl	natural abundance	50 mM
2	MES-Bis-TRIS	natural abundance	25 mM
3	RAD18	[U-100% 13C; U-100% 15N]	0.6 mM
4	Ubiquitin	natural abundance	3 mM
5	ZnCl2	natural abundance	10 uM

25 3D 1H-13C NOESY

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
6	KCl	natural abundance	50 mM
7	MES-Bis-TRIS	natural abundance	25 mM
8	RAD18	natural abundance	3 mM
9	Ubiquitin	[U-100% 13C; U-100% 15N]	0.6 mM
10	ZnCl2	natural abundance	10 uM

26 3D 15N/13C-FILTERED EDITED NOESY

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	KCl	natural abundance	50 mM
2	MES-Bis-TRIS	natural abundance	25 mM
3	RAD18	[U-100% 13C; U-100% 15N]	0.6 mM
4	Ubiquitin	natural abundance	3 mM
5	ZnCl2	natural abundance	10 uM

27 3D 15N/13C-FILTERED EDITED NOESY

Instrument

Bruker Avance III - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
6	KCl	natural abundance	50 mM
7	MES-Bis-TRIS	natural abundance	25 mM
8	RAD18	natural abundance	3 mM
9	Ubiquitin	[U-100% 13C; U-100% 15N]	0.6 mM
10	ZnCl2	natural abundance	10 uM

28 2D 1H-15N IPAP HSQC

Instrument

Bruker Avance III - 700 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 0.2 mM [U-100% 15N] RAD18, 1.0 mM Ubiquitin, 25 mM MES-Bis-TRIS, 50 mM KCl, 10 uM ZnCl2, 5 % Alkyl-polyethylene glycol (C12E5)/n-hexanol mixture, 90% H2O/10% D2O.

#	Name	Isotope labeling	Concentration
19	Alkyl-polyethylene glycol (C12E5)/n-hexanol mixture	natural abundance	5 %
20	KCl	natural abundance	50 mM
21	MES-Bis-TRIS	natural abundance	25 mM
22	RAD18	[U-100% 15N]	0.2 mM
23	Ubiquitin	natural abundance	1.0 mM
24	ZnCl2	natural abundance	10 uM

29 2D 1H-15N IPAP HSQC

Instrument

Bruker Avance III - 700 MHz

Sample

State anisotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6, Details 1.0 mM RAD18, 0.2 mM [U-100% 15N] Ubiquitin, 25 mM MES-Bis-TRIS, 50 mM KCl, 10 uM ZnCl2, 5 % Alkyl-polyethylene glycol (C12E5)/n-hexanol mixture, 90% H2O/10% D2O.

#	Name	Isotope labeling	Concentration
25	Alkyl-polyethylene glycol (C12E5)/n-hexanol mixture	natural abundance	5 %
26	KCl	natural abundance	50 mM
27	MES-Bis-TRIS	natural abundance	25 mM
28	RAD18	natural abundance	1.0 mM
29	Ubiquitin	[U-100% 15N]	0.2 mM
30	ZnCl2	natural abundance	10 uM

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints, RDC restraints	combined_30276_5vf0.nef
Input source #2: Coordindates	5vf0.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	True (see coodinates for details)
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

None

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
2:10:CYS:SG	3:1:ZN:ZN	unknown	unknown	n/a
2:13:CYS:SG	3:1:ZN:ZN	unknown	unknown	n/a
2:25:HIS:NE2	3:1:ZN:ZN	unknown	unknown	n/a
2:29:CYS:SG	3:1:ZN:ZN	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
C	1	ZN	ZINC ION	None

Sequence alignments

Entity_assembly_ID (NMR): A vs Auth_asym_ID (model): A

--------10--------20--------30--------40--------50--------60--------70------
MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MQIFVKTLTGKTITLEVEPSDTIENVKAKIQDKEGIPPDQQRLIFAGKQLEDGRTLSDYNIQKESTLHLVLRLRGG

Entity_assembly_ID (NMR): B vs Auth_asym_ID (model): B

---200-------210-------220-------230-------240
GHMQVTKVDCPVCGVNIPESHINKHLDSCLSREEKKESLRSSVHKR
||||||||||||||||||||||||||||||||||||||||||||||
GHMQVTKVDCPVCGVNIPESHINKHLDSCLSREEKKESLRSSVHKR
--------10--------20--------30--------40------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	76	0	0	100.0
B	B	46	0	0	100.0

Content subtype: combined_30276_5vf0.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	4		No information
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1195		98.7 (chain: A, length: 76), 93.5 (chain: B, length: 46)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	2422 (1)	noe	98.7 (chain: A, length: 76), 89.1 (chain: B, length: 46)
2	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	80 (1)	hbond	71.1 (chain: A, length: 76)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_4	OK	154 (154)	.	82.9 (chain: A, length: 76), 65.2 (chain: B, length: 46)
1	RDC restraints	CNS/XPLOR_dipolar_coupling_5	OK	65 (65)	.	56.6 (chain: A, length: 76), 47.8 (chain: B, length: 46)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 76, Sequence coverage: 98.7%
  - Entity_assembly_ID: B, Chain length: 46, Sequence coverage: 93.5%
- Total number of assignments
  - ¹H chemical shifts: 695
  - ¹³C chemical shifts: 391
  - ¹⁵N chemical shifts: 109
- Completeness of assignments
  - Entity_assemble_ID: A
  - Entity_assemble_ID: B
- Redox state of CYS
- Peptide bond of PRO
- Rotameric state of ILE , LEU, and VAL
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A
  - Chain_ID: B

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	478	441	92.3
¹³C chemical shifts	350	250	71.4
¹⁵N chemical shifts	85	70	82.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	155	151	97.4
¹³C chemical shifts	152	74	48.7
¹⁵N chemical shifts	73	70	95.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	323	290	89.8
¹³C chemical shifts	198	176	88.9
¹⁵N chemical shifts	12	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	50	49	98.0
¹³C chemical shifts	50	49	98.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	16	4	25.0
¹³C chemical shifts	16	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	280	254	90.7
¹³C chemical shifts	202	141	69.8
¹⁵N chemical shifts	50	39	78.0

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 76, Sequence coverage: 98.7%
  - Entity_assembly_ID: B, Chain length: 46, Sequence coverage: 89.1%
- Total number of restraints: 2422
- Weight of restraints: 1.0 (2422)
- Potential type of restraints: square-well-parabolic (2422)
- Range of distance target values: 2.4, 4.65 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
  - Chain_ID: C
    None
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_3
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 76, Sequence coverage: 71.1%
  - Total number of restraints: 80
  - Weight of restraints: 1.0 (80)
  - Potential type of restraints: square-well-parabolic (80)
  - Range of distance target values: 2.05, 3.05 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
    - Chain_ID: B
      None
    - Chain_ID: C
      None
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_4
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 76, Sequence coverage: 82.9%
  - Entity_assembly_ID: B, Chain length: 46, Sequence coverage: 65.2%
- Total number of restraints: 154
- Total number of restraints per polymer type: 154
- Weight of restraints: 1.0 (154)
- Potential type of restraints: square-well-parabolic (154)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A
  - Chain_ID: B

RDC restraints

Saveframe: CNS/XPLOR_dipolar_coupling_5
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 76, Sequence coverage: 56.6%
  - Entity_assembly_ID: B, Chain length: 46, Sequence coverage: 47.8%
- Total number of restraints: 65
- Potential type of restraints: undefined (65)
- Range of observed RDC values: 100.0, -100.0 (Hz)
- RDC restraints per residue
  - Chain_ID: A
    None

Keywords DNA damage response, Nucleosome, Ubiquitin, Ubiquitin ligase

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	92	85	92.4
¹³C chemical shifts	92	43	46.7
¹⁵N chemical shifts	44	38	86.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	188	169	89.9
¹³C chemical shifts	110	98	89.1
¹⁵N chemical shifts	6	1	16.7

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Found 1 Document (3.504 seconds)

BMRB: 30276

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. Polyubiquitin-B, E3 ubiquitin-protein ligase RAD18 (E.C.2.3.2.27), entity 1, : 92 : 6 : 46 : 182 entities Detail

Related entities 2. Polyubiquitin-B, E3 ubiquitin-protein ligase RAD18 (E.C.2.3.2.27), entity 2, : 1 : 1 : 9 entities Detail

Interaction partners 2. Polyubiquitin-B, E3 ubiquitin-protein ligase RAD18 (E.C.2.3.2.27), entity 2, : 28 interactors Detail

Experiments performed 29 experiments Detail

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