BMRBj - BMREntryMaster

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BMRB: 51655

UBE3A isoform 2 AZUL

Authors

Bregnard, T.A., Bezsonova, I.

Assembly

UBE3A AZUL iso2

Entity

1. UBE3A AZUL iso2, entity 1 (polymer, Thiol state: free and other bound), 90 monomers, 10201.47 Da Detail

GSHMEKLHQC YWKSGEPQSD DIEASRMKRA AAKHLIERYY HQLTEGCGNE ACTNEFCASC PTFLRMDNNA AAIKALELYK INAKLCDPHP

2. UBE3A AZUL iso2, entity ZN (non-polymer), 65.409 Da

Total weight

10266.879 Da

Max. entity weight

10201.47 Da

Entity Connection

metal coordination 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	metal coordination	sing	1:CYS47:SG	2:ZN1:ZN
2	metal coordination	sing	1:CYS52:SG	2:ZN1:ZN
3	metal coordination	sing	1:CYS57:SG	2:ZN1:ZN
4	metal coordination	sing	1:CYS86:SG	2:ZN1:ZN

Source organism

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.8 %, Completeness: 89.7 %, Completeness (bb): 96.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.7 % (930 of 1037)	86.9 % (470 of 541)	92.7 % (368 of 397)	92.9 % (92 of 99)
Backbone	96.4 % (513 of 532)	96.7 % (174 of 180)	96.2 % (256 of 266)	96.5 % (83 of 86)
Sidechain	84.9 % (502 of 591)	82.0 % (296 of 361)	90.8 % (197 of 217)	69.2 % (9 of 13)
Aromatic	54.8 % (46 of 84)	54.8 % (23 of 42)	53.7 % (22 of 41)	100.0 % (1 of 1)
Methyl	100.0 % (72 of 72)	100.0 % (36 of 36)	100.0 % (36 of 36)

1. entity 1

GSHMEKLHQC YWKSGEPQSD DIEASRMKRA AAKHLIERYY HQLTEGCGNE ACTNEFCASC PTFLRMDNNA AAIKALELYK INAKLCDPHP

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	UBE3A AZUL iso2	[U-99% 13C; U-99% 15N]		1.8 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		450 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	zinc sulfate	natural abundance		10 uM

Release date

2022-10-05

Citation

Differences in structure, dynamics and Zn-coordination between isoforms of human ubiquitin ligase UBE3A
Bregnard, T.A., Fairchild, D., Chen, X., Erlandsen, H., Walters, K.J., Korzhnev, D.M., Bezsonova, I.
Not known

Related entities 1. UBE3A AZUL iso2, entity 1, : 2 : 8 entities Detail

Interaction partners 1. UBE3A AZUL iso2, entity 1, : 69 interactors Detail

More details for 69 interactors identified by 17 citations

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC

Instrument

Agilent VNMRS - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	UBE3A AZUL iso2	[U-99% 13C; U-99% 15N]		1.8 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		450 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	zinc sulfate	natural abundance		10 uM

2 3D HNCO

Instrument

Agilent VNMRS - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	UBE3A AZUL iso2	[U-99% 13C; U-99% 15N]		1.8 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		450 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	zinc sulfate	natural abundance		10 uM

3 3D HNCA

Instrument

Agilent VNMRS - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	UBE3A AZUL iso2	[U-99% 13C; U-99% 15N]		1.8 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		450 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	zinc sulfate	natural abundance		10 uM

4 3D HN(CO)CA

Instrument

Agilent VNMRS - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	UBE3A AZUL iso2	[U-99% 13C; U-99% 15N]		1.8 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		450 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	zinc sulfate	natural abundance		10 uM

5 3D HNCACB

Instrument

Agilent VNMRS - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	UBE3A AZUL iso2	[U-99% 13C; U-99% 15N]		1.8 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		450 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	zinc sulfate	natural abundance		10 uM

6 3D CBCA(CO)NH

Instrument

Agilent VNMRS - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	UBE3A AZUL iso2	[U-99% 13C; U-99% 15N]		1.8 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		450 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	zinc sulfate	natural abundance		10 uM

7 3D HBHA(CO)NH

Instrument

Agilent VNMRS - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	UBE3A AZUL iso2	[U-99% 13C; U-99% 15N]		1.8 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		450 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	zinc sulfate	natural abundance		10 uM

8 2D 1H-13C HSQC

Instrument

Agilent VNMRS - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	UBE3A AZUL iso2	[U-99% 13C; U-99% 15N]		1.8 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		450 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	zinc sulfate	natural abundance		10 uM

9 3D CCH-TOCSY

Instrument

Agilent VNMRS - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	UBE3A AZUL iso2	[U-99% 13C; U-99% 15N]		1.8 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		450 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	zinc sulfate	natural abundance		10 uM

10 3D HCCH-TOCSY

Instrument

Agilent VNMRS - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	UBE3A AZUL iso2	[U-99% 13C; U-99% 15N]		1.8 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		450 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	zinc sulfate	natural abundance		10 uM

11 3D 1H-15N NOESY

Instrument

Agilent VNMRS - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	UBE3A AZUL iso2	[U-99% 13C; U-99% 15N]		1.8 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		450 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	zinc sulfate	natural abundance		10 uM

12 3D 1H-13C NOESY

Instrument

Agilent VNMRS - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0

#	Name	Isotope labeling	Type	Concentration
1	UBE3A AZUL iso2	[U-99% 13C; U-99% 15N]		1.8 mM
2	MOPS	natural abundance		10 mM
3	sodium chloride	natural abundance		450 mM
4	beta-mercaptoethanol	natural abundance		10 mM
5	zinc sulfate	natural abundance		10 uM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr51655_3.str
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)
1:47:CYS:SG	2:1:ZN:ZN	reduced, CA 58.529, CB 31.938 ppm	unknown	n/a
1:52:CYS:SG	2:1:ZN:ZN	reduced, CA 62.804, CB 29.909 ppm	unknown	n/a
1:57:CYS:SG	2:1:ZN:ZN	oxidized 65.8%, reduced 34.2%, CA 57.381, CB 33.537 ppm	unknown	n/a
1:86:CYS:SG	2:1:ZN:ZN	reduced, CA 61.483, CB 31.044 ppm	unknown	n/a

Non-standard residues

None

Content subtype: bmr51655_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1008		97.8 (chain: 1, length: 90)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 90, Sequence coverage: 97.8%
- Total number of assignments
  - ¹H chemical shifts: 548
  - ¹³C chemical shifts: 368
  - ¹⁵N chemical shifts: 92
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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: 1