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BMRB: 15072

2JMX

OSCP-NT (1-120) in complex with N-terminal (1-25) alpha subunit from F1-ATPase

Authors

Carbajo, R.J., Neuhaus, D., Kellas, F.A., Yang, J., Runswick, M.J., Montgomery, M.G., Walker, J.E.

Assembly

oscp-nt alpha-nt

Entity

1. oscp-nt (polymer, Thiol state: not present), 120 monomers, 13222.36 Da Detail

FAKLVRPPVQ IYGIEGRYAT ALYSAASKQN KLEQVEKELL RVGQILKEPK MAASLLNPYV KRSVKVKSLS DMTAKEKFSP LTSNLINLLA ENGRLTNTPA VISAFSTMMS VHRGEVPCTV

2. alpha-nt (polymer, Thiol state: not present), 25 monomers, 2632.871 Da Detail

QKTGTAEVSS ILEERILGAD TSVDL

Total weight

15855.231 Da

Max. entity weight

13222.36 Da

Source organism

Bos taurus

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.9 %, Completeness: 56.6 %, Completeness (bb): 54.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	56.6 % (949 of 1678)	66.5 % (580 of 872)	40.0 % (263 of 657)	71.1 % (106 of 149)
Backbone	54.4 % (466 of 856)	77.6 % (225 of 290)	33.4 % (143 of 428)	71.0 % (98 of 138)
Sidechain	56.9 % (546 of 960)	61.0 % (355 of 582)	49.9 % (183 of 367)	72.7 % (8 of 11)
Aromatic	93.9 % (62 of 66)	93.9 % (31 of 33)	93.9 % (31 of 33)
Methyl	72.2 % (140 of 194)	84.5 % (82 of 97)	59.8 % (58 of 97)

1. oscp-nt

FAKLVRPPVQ IYGIEGRYAT ALYSAASKQN KLEQVEKELL RVGQILKEPK MAASLLNPYV KRSVKVKSLS DMTAKEKFSP LTSNLINLLA ENGRLTNTPA VISAFSTMMS VHRGEVPCTV

2. alpha-nt

QKTGTAEVSS ILEERILGAD TSVDL

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 300 K, pH 6.5

#	Name	Isotope labeling	Type	Concentration
1	oscp-nt	[U-99% 13C; U-99% 15N]		0.5 mM
2	alpha-nt	natural abundance		1.5 mM

Protein Blocks Logo

Calculated from 30 models in PDB: 2JMX, Strand ID: A, B Detail

Release date

2007-04-16

Citation

How the N-terminal domain of the OSCP subunit of bovine F1Fo-ATP synthase interacts with the N-terminal region of an alpha subunit
Carbajo, R.J., Kellas, F.A., Yang, J., Runswick, M.J., Montgomery, M.G., Walker, J.E., Neuhaus, D.
J. Mol. Biol. (2007), 368, 310-318, PubMed 17355883 , DOI 10.1016/j.jmb.2007.02.059 , Abstract

Related entities 1. oscp-nt, : 1 : 11 : 1 : 125 entities Detail

Related entities 2. alpha-nt, : 1 : 32 : 18 : 21 entities Detail

Interaction partners 1. oscp-nt, : 5 interactors Detail

More details for 5 interactors identified by 3 citations

Interaction partners 2. alpha-nt, : 7 : 1 interactors Detail

More details for 8 interactors identified by 6 citations

Experiments performed 1 experiments Detail

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_15072_2jmx.nef
Input source #2: Coordindates	2jmx.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--------60--------70--------80--------90-------100
FAKLVRPPVQIYGIEGRYATALYSAASKQNKLEQVEKELLRVGQILKEPKMAASLLNPYVKRSVKVKSLSDMTAKEKFSPLTSNLINLLAENGRLTNTPA
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
FAKLVRPPVQIYGIEGRYATALYSAASKQNKLEQVEKELLRVGQILKEPKMAASLLNPYVKRSVKVKSLSDMTAKEKFSPLTSNLINLLAENGRLTNTPA

-------110-------120
VISAFSTMMSVHRGEVPCTV
||||||||||||||||||||
VISAFSTMMSVHRGEVPCTV

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

--------10--------20-----
QKTGTAEVSSILEERILGADTSVDL
|||||||||||||||||||||||||
QKTGTAEVSSILEERILGADTSVDL

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	120	0	0	100.0
B	B	25	0	0	100.0

Content subtype: combined_15072_2jmx.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	888		97.5 (chain: A, length: 120), 100.0 (chain: B, length: 25)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	187 (1)	noe	92.0 (chain: B, length: 25)
2	Distance restraints	CNS/XPLOR_distance_constraints_3	Warning	282 (1)	noe	48.3 (chain: A, length: 120), 28.0 (chain: B, length: 25)
3	Distance restraints	CNS/XPLOR_distance_constraints_4	Warning	2421 (1)	noe	100.0 (chain: A, length: 120)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 120, Sequence coverage: 97.5%
  - Entity_assembly_ID: B, Chain length: 25, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 566
  - ¹³C chemical shifts: 222
  - ¹⁵N chemical shifts: 100
- 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	738	439	59.5
¹³C chemical shifts	553	222	40.1
¹⁵N chemical shifts	129	100	77.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	238	167	70.2
¹³C chemical shifts	240	52	21.7
¹⁵N chemical shifts	113	92	81.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	500	272	54.4
¹³C chemical shifts	313	170	54.3
¹⁵N chemical shifts	16	8	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	82	67	81.7
¹³C chemical shifts	82	60	73.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	33	31	93.9
¹³C chemical shifts	33	31	93.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	134	127	94.8
¹³C chemical shifts	104	0	0.0
¹⁵N chemical shifts	27	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	52	50	96.2
¹³C chemical shifts	50	0	0.0
¹⁵N chemical shifts	25	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	82	77	93.9
¹³C chemical shifts	54	0	0.0
¹⁵N chemical shifts	2	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	19	19	100.0
¹³C chemical shifts	19	0	0.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: B, Chain length: 25, Sequence coverage: 92.0%
- Total number of restraints: 186
- Weight of restraints: 1.0 (186)
- Potential type of restraints: square-well-parabolic (186)
- Range of distance target values: 1.4, 3.0 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
    None
  - Chain_ID: B
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_3
  - Status: Warning
  - Experiment type: noe
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 120, Sequence coverage: 48.3%
    - Entity_assembly_ID: B, Chain length: 25, Sequence coverage: 28.0%
  - Total number of restraints: 278
  - Weight of restraints: 1.0 (278)
  - Potential type of restraints: square-well-parabolic (278)
  - Range of distance target values: 1.75, 3.0 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
    - Chain_ID: B
  - Distance restraints on contact map
  - Saveframe: CNS/XPLOR_distance_constraints_4
    - Status: Warning
    - Experiment type: noe
    - Sequence coverage of experimental data
      - Entity_assembly_ID: A, Chain length: 120, Sequence coverage: 100.0%
    - Total number of restraints: 2417
    - Weight of restraints: 1.0 (2417)
    - Potential type of restraints: square-well-parabolic (2417)
    - Range of distance target values: 1.4, 3.0 (Å)
    - Histogram of distance target values
    - Distance restraints per residue
      - Chain_ID: A
      - Chain_ID: B
        None
    - Distance restraints on contact map

Keywords oscp-nt alpha-nt complex

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Found 1 Document (1.584 seconds)

BMRB: 15072

Sample

Related entities 1. oscp-nt, : 1 : 11 : 1 : 125 entities Detail

Related entities 2. alpha-nt, : 1 : 32 : 18 : 21 entities Detail

Interaction partners 1. oscp-nt, : 5 interactors Detail

Interaction partners 2. alpha-nt, : 7 : 1 interactors Detail

Experiments performed 1 experiments Detail

Instrument

Sample

NMR combined restraints 5 contents Detail