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Found 1 Document (1.973 seconds)

BMRB: 18234

2LP4

Solution structure of P1-CheY/P2 complex in bacterial chemotaxis

Authors

dahlquist, F., Mo, G., Zhou, H., Kamamura, T.

Assembly

P1-CheY/P2 complex

Entity

1. CheA P1P2 (polymer, Thiol state: not reported), 225 monomers, 24970.63 Da Detail

MSMDISDFYQ TFFDEADELL ADMEQHLLDL VPESPDAEQL NAIFRAAHSI KGGAGTFGFT ILQETTHLME NLLDEARRGE MQLNTDIINL FLETKDIMQE QLDAYKNSEE PDAASFEYIC NALRQLALEA KGETPSAVTR LSVVAKSEPQ DEQSRSQSPR RIILSRLKAG EVDLLEEELG HLTTLTDVVK GADSLSAILP GDIAEDDITA VLCFVIEADQ ITFET

2. CheY (polymer, Thiol state: not reported), 128 monomers, 13966.01 Da Detail

ADKELKFLVV DDFSTMRRIV RNLLKELGFN NVEEAEDGVD ALNKLQAGGY GFVISDWNMP NMDGLELLKT IRADGAMSAL PVLMVTAEAK KENIIAAAQA GASGYVVKPF TAATLEEKLN KIFEKLGM

Total weight

38936.64 Da

Max. entity weight

24970.63 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

torsion angle dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 32.6 %, Completeness: 9.9 %, Completeness (bb): 22.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	9.9 % (243 of 2446)	6.2 % (128 of 2074)	30.9 % (115 of 372)
Backbone	22.2 % (235 of 1059)	16.8 % (120 of 716)	33.5 % (115 of 343)
Sidechain	0.6 % (8 of 1387)	0.6 % (8 of 1358)	0.0 % (0 of 29)
Aromatic	0.0 % (0 of 115)	0.0 % (0 of 114)	0.0 % (0 of 1)
Methyl	1.3 % (3 of 224)	1.3 % (3 of 224)

1. CheA P1P2

2. CheY

ADKELKFLVV DDFSTMRRIV RNLLKELGFN NVEEAEDGVD ALNKLQAGGY GFVISDWNMP NMDGLELLKT IRADGAMSAL PVLMVTAEAK KENIIAAAQA GASGYVVKPF TAATLEEKLN KIFEKLGM

Show sample condition

Sample

Solvent system 92% H2O/8% D2O, Pressure 1 atm, Temperature 273 K, pH 6.5, Details 50 mM sodium phosphate, pH 6.5. 5 mM DTT, 0.2% sodium azide

#	Name	Isotope labeling	Concentration
1	CheY	[U-15N; U-2H]	200 mM
2	CheA P1	[U-2H]	3000 mM
3	CheA P2	[U-2H]	250 mM
4	sodium phosphate	natural abundance	50 mM
5	DTT	natural abundance	5 mM
6	sodium azide	natural abundance	0.2 %
7	H2O	natural abundance	92 %
8	D2O	natural abundance	8 %

Protein Blocks Logo

Calculated from 25 models in PDB: 2LP4, Strand ID: A, Y Detail

Release date

2012-10-21

Citation

Solution structure of a complex of the histidine autokinase CheA with its substrate CheY
Mo, G., Zhou, H., Kamamura, T., dahlquist, F.
Biochemistry (2012), 51, 3786-3798, PubMed 22494339 , DOI 10.1021/bi300147m , Abstract

Related entities 1. CheA P1P2, : 1 : 7 entities Detail

Related entities 2. CheY, : 1 : 99 entities Detail

Interaction partners 1. CheA P1P2, : 23 interactors Detail

More details for 23 interactors identified by 3 citations

Experiments performed 1 experiments Detail

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_18234_2lp4.nef
Input source #2: Coordindates	2lp4.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
MSMDISDFYQTFFDEADELLADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGGAGTFGFTILQETTHLMENLLDEARRGEMQLNTDIINLFLETKDIMQE
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MSMDISDFYQTFFDEADELLADMEQHLLDLVPESPDAEQLNAIFRAAHSIKGGAGTFGFTILQETTHLMENLLDEARRGEMQLNTDIINLFLETKDIMQE

-------110-------120-------130-------140-------150-------160-------170-------180-------190-------200
QLDAYKNSEEPDAASFEYICNALRQLALEAKGETPSAVTRLSVVAKSEPQDEQSRSQSPRRIILSRLKAGEVDLLEEELGHLTTLTDVVKGADSLSAILP
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
QLDAYKNSEEPDAASFEYICNALRQLALEAKGETPSAVTRLSVVAKSEPQDEQSRSQSPRRIILSRLKAGEVDLLEEELGHLTTLTDVVKGADSLSAILP

-------210-------220-----
GDIAEDDITAVLCFVIEADQITFET
|||||||||||||||||||||||||
GDIAEDDITAVLCFVIEADQITFET

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

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	225	0	0	100.0
Y	Y	128	0	0	100.0

Content subtype: combined_18234_2lp4.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	OK	216		84.4 (chain: Y, length: 128)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	75 (1)	noe	10.7 (chain: A, length: 225), 8.6 (chain: Y, length: 128)
2	Distance restraints	CNS/XPLOR_distance_constraints_3	Warning	16 (1)	undefined	5.8 (chain: A, length: 225)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: Y, Chain length: 128, Sequence coverage: 84.4%
- Total number of assignments
  - ¹H chemical shifts: 108
  - ¹⁵N chemical shifts: 108
- Completeness of assignments
  - Entity_assemble_ID: Y
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: Y

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	762	108	14.2
¹⁵N chemical shifts	140	108	77.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	263	108	41.1
¹⁵N chemical shifts	125	108	86.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	499	0	0.0
¹⁵N chemical shifts	15	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	89	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	44	0	0.0
¹⁵N chemical shifts	1	0	0.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 225, Sequence coverage: 10.7%
  - Entity_assembly_ID: Y, Chain length: 128, Sequence coverage: 8.6%
- Total number of restraints: 75
- Weight of restraints: 1.0 (75)
- Potential type of restraints: square-well-parabolic (75)
- Range of distance target values: 3.0, 8.4 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: Y
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_3
  - Status: Warning
  - Experiment type: undefined
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 225, Sequence coverage: 5.8%
  - Total number of restraints: 16
  - Weight of restraints: 1.0 (16)
  - Potential type of restraints: square-well-parabolic (16)
  - Range of distance target values: 8.4, 8.4 (Å)
  - Distance restraints per residue
    - Chain_ID: A
    - Chain_ID: Y
  - Distance restraints on contact map

Keywords Chemotaxis, Histidine phosphotransfer domain, Response Regulator, Two Component Signaling system

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Found 1 Document (1.973 seconds)

BMRB: 18234

Sample

Related entities 1. CheA P1P2, : 1 : 7 entities Detail

Related entities 2. CheY, : 1 : 99 entities Detail

Interaction partners 1. CheA P1P2, : 23 interactors Detail

Experiments performed 1 experiments Detail

Instrument

Sample

NMR combined restraints 4 contents Detail