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Found 1 Document (0.814 seconds)

BMRB: 30423

6CKV

Solution NMR structure of human BOK

Authors

Royappa, G., Zheng, J., Moldoveanu, T.

Assembly

Bcl-2-related ovarian killer protein

Entity

1. Bcl-2-related ovarian killer protein (polymer, Thiol state: all free), 158 monomers, 17161.80 Da Detail

MSPTDKELVA QAKALGREYV HARLLRAGLS WSAPERAAPV PGRLAEVAAV LLRLGDELEM IRPSVYRNVA RQLHISLQSE RVVTDAFLAV AGHIFSAGIT WGKVVSLYAV AAGLAVDAVR QAQPAMVHAL VDALGEFVRK TLATWLRRRG GWTDVLKC

Formula weight

17161.8 Da

Source organism

Homo sapiens

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 90.7 %, Completeness (bb): 85.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	90.7 % (1621 of 1787)	97.9 % (896 of 915)	79.3 % (563 of 710)	100.0 % (162 of 162)
Backbone	85.6 % (801 of 936)	98.4 % (316 of 321)	71.9 % (333 of 463)	100.0 % (152 of 152)
Sidechain	96.9 % (967 of 998)	97.6 % (580 of 594)	95.7 % (377 of 394)	100.0 % (10 of 10)
Aromatic	86.4 % (102 of 118)	96.6 % (57 of 59)	74.5 % (41 of 55)	100.0 % (4 of 4)
Methyl	99.2 % (234 of 236)	99.2 % (117 of 118)	99.2 % (117 of 118)

1. entity 1

MSPTDKELVA QAKALGREYV HARLLRAGLS WSAPERAAPV PGRLAEVAAV LLRLGDELEM IRPSVYRNVA RQLHISLQSE RVVTDAFLAV AGHIFSAGIT WGKVVSLYAV AAGLAVDAVR QAQPAMVHAL VDALGEFVRK TLATWLRRRG GWTDVLKC

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 303 K, pH 6.8, Details 0.5 mM [U-99% 13C; U-99% 15N] hBOK, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	hBOK	[U-99% 13C; U-99% 15N]		0.5 mM
2	NaCl	natural abundance		150 mM

LACS Plot; CA

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

Referencing offset: -0.38 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.38 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.05 ppm, Outliers: 4 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 6CKV, Strand ID: A Detail

Release date

2018-04-09

Citation

Intrinsic Instability of BOK Enables Membrane Permeabilization in Apoptosis
Zheng, J.H., Grace, C.R., Guibao, C.D., McNamara, D.E., Llambi, F., Wang, Y.M., Chen, T., Moldoveanu, T.
Cell Rep. (2018), 23, 2083-2094, PubMed 29768206 , DOI 10.1016/j.celrep.2018.04.060 , Abstract

Related entities 1. Bcl-2-related ovarian killer protein, : 1 : 2 : 126 entities Detail

Interaction partners 1. Bcl-2-related ovarian killer protein, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 5 experiments Detail

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_30423_6ckv.nef
Input source #2: Coordindates	6ckv.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

20-------30--------40--------50--------60--------70--------80--------90-------100-------110-------12
MSPTDKELVAQAKALGREYVHARLLRAGLSWSAPERAAPVPGRLAEVAAVLLRLGDELEMIRPSVYRNVARQLHISLQSERVVTDAFLAVAGHIFSAGIT
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MSPTDKELVAQAKALGREYVHARLLRAGLSWSAPERAAPVPGRLAEVAAVLLRLGDELEMIRPSVYRNVARQLHISLQSERVVTDAFLAVAGHIFSAGIT
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

0-------130-------140-------150-------160-------170-------
WGKVVSLYAVAAGLAVDAVRQAQPAMVHALVDALGEFVRKTLATWLRRRGGWTDVLKC
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
WGKVVSLYAVAAGLAVDAVRQAQPAMVHALVDALGEFVRKTLATWLRRRGGWTDVLKC
-------110-------120-------130-------140-------150--------

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	158	0	0	100.0

Content subtype: combined_30423_6ckv.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1601		100.0 (chain: A, length: 158)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	OK	2838 (1)	noe	98.7 (chain: A, length: 158)
2	Distance restraints	DYANA/DIANA_distance_constraints_4	Warning	388 (1)	hbond	75.3 (chain: A, length: 158)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_3	OK	235 (235)	.	84.2 (chain: A, length: 158)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 158, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 903
  - ¹³C chemical shifts: 535
  - ¹⁵N chemical shifts: 163
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- Tautomeric state of HIS
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	915	903	98.7
¹³C chemical shifts	710	535	75.4
¹⁵N chemical shifts	177	163	92.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	321	319	99.4
¹³C chemical shifts	316	158	50.0
¹⁵N chemical shifts	152	152	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	594	584	98.3
¹³C chemical shifts	394	377	95.7
¹⁵N chemical shifts	25	11	44.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	121	121	100.0
¹³C chemical shifts	121	120	99.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	59	57	96.6
¹³C chemical shifts	55	41	74.5
¹⁵N chemical shifts	4	4	100.0

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 158, Sequence coverage: 98.7%
- Total number of restraints: 2820
- Weight of restraints: 1.0 (2820)
- Potential type of restraints: upper-bound-parabolic (2820)
- Range of distance target values: 2.47, 5.42 (Å)
- Histogram of distance target values
- Histogram of discrepancy in distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: DYANA/DIANA_distance_constraints_4
  - Status: Warning
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 158, Sequence coverage: 75.3%
  - Total number of restraints: 388
  - Weight of restraints: 1.0 (388)
  - Potential type of restraints: upper-bound-parabolic (388)
  - Range of distance target values: 1.8, 3.0 (Å)
  - Histogram of distance target values
  - Histogram of discrepancy in distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 158, Sequence coverage: 84.2%
- Total number of restraints: 235
- Total number of restraints per polymer type: 235
- Weight of restraints: 1.0 (235)
- Potential type of restraints: square-well-parabolic (235)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords APOPTOSIS

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Found 1 Document (0.814 seconds)

BMRB: 30423

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Bcl-2-related ovarian killer protein, : 1 : 2 : 126 entities Detail

Interaction partners 1. Bcl-2-related ovarian killer protein, : 1 interactors Detail

Experiments performed 5 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 5 contents Detail