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BMRB: 16484

2KNZ

NMR structure of CIP75 UBA domain

Authors

Kieken, F., Spagnol, G., Su, V., Lau, A.F., Sorgen, P.L.

Assembly

CIP75 UBA

Entity

1. CIP75 UBA (polymer, Thiol state: not present), 53 monomers, 5698.404 Da Detail

GPLGSMPEVR FQQQLEQLNS MGFINREANL QALIATGGDI NAAIERLLGS QLS

Formula weight

5698.404 Da

Source organism

Exptl. method

Refine. method

DGSA-distance geometry simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 86.9 %, Completeness (bb): 80.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	86.9 % (523 of 602)	95.9 % (302 of 315)	72.1 % (163 of 226)	95.1 % (58 of 61)
Backbone	80.9 % (254 of 314)	96.4 % (106 of 110)	65.4 % (100 of 153)	94.1 % (48 of 51)
Sidechain	94.3 % (316 of 335)	95.6 % (196 of 205)	91.7 % (110 of 120)	100.0 % (10 of 10)
Aromatic	50.0 % (10 of 20)	100.0 % (10 of 10)	0.0 % (0 of 10)
Methyl	100.0 % (64 of 64)	100.0 % (32 of 32)	100.0 % (32 of 32)

1. CIP75 UBA

GPLGSMPEVR FQQQLEQLNS MGFINREANL QALIATGGDI NAAIERLLGS QLS

Show sample condition

Sample

Solvent system 93% H2O/7% D2O, Pressure 1 atm, pH 5.8, Details pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	CIP75 UBA	[U-13C; U-15N]		1.5-2.0 mM
2	D2O	natural abundance		7 %
3	H2O	natural abundance		93 %

Protein Blocks Logo

Calculated from 10 models in PDB: 2KNZ, Strand ID: A Detail

Release date

2010-02-03

Citation

NMR structure note: UBA domain of CIP75
Kieken, F., Spagnol, G., Su, V., Lau, A.F., Sorgen, P.L.
J. Biomol. NMR (2010), 46, 245-250, PubMed 20127391 , DOI 10.1007/s10858-010-9397-9 , Abstract

Related entities 1. CIP75 UBA, : 1 : 4 : 65 entities Detail

Interaction partners 1. CIP75 UBA, : 5 interactors Detail

More details for 5 interactors identified by 3 citations

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, pH 5.8, Details pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	CIP75 UBA	[U-13C; U-15N]		1.5-2.0 mM
2	D2O	natural abundance		7 %
3	H2O	natural abundance		93 %

2 2D 1H-13C HSQC

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, pH 5.8, Details pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	CIP75 UBA	[U-13C; U-15N]		1.5-2.0 mM
2	D2O	natural abundance		7 %
3	H2O	natural abundance		93 %

3 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, pH 5.8, Details pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	CIP75 UBA	[U-13C; U-15N]		1.5-2.0 mM
2	D2O	natural abundance		7 %
3	H2O	natural abundance		93 %

4 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, pH 5.8, Details pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	CIP75 UBA	[U-13C; U-15N]		1.5-2.0 mM
2	D2O	natural abundance		7 %
3	H2O	natural abundance		93 %

5 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, pH 5.8, Details pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	CIP75 UBA	[U-13C; U-15N]		1.5-2.0 mM
2	D2O	natural abundance		7 %
3	H2O	natural abundance		93 %

6 3D HN(CO)CA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, pH 5.8, Details pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	CIP75 UBA	[U-13C; U-15N]		1.5-2.0 mM
2	D2O	natural abundance		7 %
3	H2O	natural abundance		93 %

7 3D HNHA

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, pH 5.8, Details pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	CIP75 UBA	[U-13C; U-15N]		1.5-2.0 mM
2	D2O	natural abundance		7 %
3	H2O	natural abundance		93 %

8 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, pH 5.8, Details pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	CIP75 UBA	[U-13C; U-15N]		1.5-2.0 mM
2	D2O	natural abundance		7 %
3	H2O	natural abundance		93 %

9 3D 1H-15N TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, pH 5.8, Details pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	CIP75 UBA	[U-13C; U-15N]		1.5-2.0 mM
2	D2O	natural abundance		7 %
3	H2O	natural abundance		93 %

10 3D C(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, pH 5.8, Details pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	CIP75 UBA	[U-13C; U-15N]		1.5-2.0 mM
2	D2O	natural abundance		7 %
3	H2O	natural abundance		93 %

11 3D HBHA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, pH 5.8, Details pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	CIP75 UBA	[U-13C; U-15N]		1.5-2.0 mM
2	D2O	natural abundance		7 %
3	H2O	natural abundance		93 %

12 2D 1H-1H TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, pH 5.8, Details pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	CIP75 UBA	[U-13C; U-15N]		1.5-2.0 mM
2	D2O	natural abundance		7 %
3	H2O	natural abundance		93 %

13 3D 1H-13C NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, pH 5.8, Details pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	CIP75 UBA	[U-13C; U-15N]		1.5-2.0 mM
2	D2O	natural abundance		7 %
3	H2O	natural abundance		93 %

14 3D 1H-15N NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 93% H2O/7% D2O, Pressure 1 atm, pH 5.8, Details pH 5.8

#	Name	Isotope labeling	Type	Concentration
1	CIP75 UBA	[U-13C; U-15N]		1.5-2.0 mM
2	D2O	natural abundance		7 %
3	H2O	natural abundance		93 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_16484_2knz.nef
Input source #2: Coordindates	2knz.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	None
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)

None

Non-standard residues

None

Sequence alignments

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

--------10--------20--------30--------40--------50---
GPLGSMPEVRFQQQLEQLNSMGFINREANLQALIATGGDINAAIERLLGSQLS
|||||||||||||||||||||||||||||||||||||||||||||||||||||
GPLGSMPEVRFQQQLEQLNSMGFINREANLQALIATGGDINAAIERLLGSQLS

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	53	0	0	100.0

Content subtype: combined_16484_2knz.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	539		100.0 (chain: A, length: 53)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	1820 (1)	noe	100.0 (chain: A, length: 53)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 53, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 319
  - ¹³C chemical shifts: 162
  - ¹⁵N chemical shifts: 58
- Completeness of assignments
  - Entity_assemble_ID: A
- 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

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 53, Sequence coverage: 100.0%
- Total number of restraints: 1820
- Weight of restraints: 1.0 (1820)
- Potential type of restraints: square-well-parabolic (1820)
- Range of distance target values: 1.75, 4.0 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map

Keywords CIP75, Cx43, UBA domain, Protein