BMRBj - BMREntryMaster

Found 1 Document (0.751 seconds)

BMRB: 30136

5KS6

Recognition and targeting mechanisms by chaperones in flagella assembly and operation

Authors

Khanra, N.K., Rossi, P., Economou, A., Kalodimos, C.G.

Assembly

Flagellar protein FliT

Entity

1. Flagellar protein FliT (polymer, Thiol state: not present), 122 monomers, 13704.53 Da Detail

MTSTVEFINR WQRIALLSQS LLELAQRGEW DLLLQQEVSY LQSIETVMEK QTPPGITRSI QDMVAGYIKQ TLDNEQLLKG LLQQRLDELS SLIGQSTRQK SLNNAYGRLS GMLLVPDAPG AS

Formula weight

13704.53 Da

Source organism

Salmonella enterica subsp. enterica serovar Typhimurium str. LT2

Exptl. method

solution NMR

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.3 %, Completeness: 37.6 %, Completeness (bb): 47.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	37.6 % (542 of 1443)	29.3 % (221 of 755)	39.3 % (216 of 550)	76.1 % (105 of 138)
Backbone	47.9 % (347 of 724)	44.4 % (110 of 248)	37.7 % (135 of 358)	86.4 % (102 of 118)
Sidechain	24.2 % (202 of 833)	20.5 % (104 of 507)	31.0 % (95 of 306)	15.0 % (3 of 20)
Aromatic	60.3 % (35 of 58)	62.1 % (18 of 29)	55.6 % (15 of 27)	100.0 % (2 of 2)
Methyl	83.5 % (132 of 158)	83.5 % (66 of 79)	83.5 % (66 of 79)

1. entity 1

MTSTVEFINR WQRIALLSQS LLELAQRGEW DLLLQQEVSY LQSIETVMEK QTPPGITRSI QDMVAGYIKQ TLDNEQLLKG LLQQRLDELS SLIGQSTRQK SLNNAYGRLS GMLLVPDAPG AS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.5 mM [U-99% 13C; U-99% 15N; U-99% 2H] FliT, 20 mM potassium phosphate, 100 mM potassium chloride, 0.5 mM EDTA, 5 mM beta-mercaptoethanol, 0.05 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	EDTA	natural abundance	0.5 mM
2	FliT	[U-99% 13C; U-99% 15N; U-99% 2H]	0.5 mM
3	beta-mercaptoethanol	natural abundance	5 mM
4	potassium chloride	natural abundance	100 mM
5	potassium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	0.05 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.08 mM U-[2H,15N] 1H-13C-IVLMAT, 1H-13C-15N FY FliT, 20 mM potassium phosphate, 100 mM potassium chloride, 0.5 mM EDTA, 5 mM beta-mercaptoethanol, 0.05 mM sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	EDTA	natural abundance	0.5 mM
8	FliT	U-[2H,15N] 1H-13C-IVLMAT, 1H-13C-15N FY	0.08 mM
9	beta-mercaptoethanol	natural abundance	5 mM
10	potassium chloride	natural abundance	100 mM
11	potassium phosphate	natural abundance	20 mM
12	sodium azide	natural abundance	0.05 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 5KS6, Strand ID: A Detail

Release date

2016-08-11

Citation

Recognition and targeting mechanisms by chaperones in flagellum assembly and operation
Khanra, N.K., Rossi, P., Economou, A., Kalodimos, C.G.
Proc. Natl. Acad. Sci. U. S. A. (2016), 113, 9798-9803, PubMed 27528687 , DOI 10.1073/pnas.1607845113 , Abstract

Entries sharing articles BMRB: 2 entries Detail

  BMRB: 30134 released on 2016-08-11
    Title Recognition and targeting mechanisms by chaperones in flagella assembly and operation
  BMRB: 30127 released on 2016-08-10
    Title Recognition and targeting mechanisms by chaperones in flagella assembly and operation

Related entities 1. Flagellar protein FliT, : 1 : 1 : 4 : 29 entities Detail

Interaction partners 1. Flagellar protein FliT, : 5 interactors Detail

More details for 5 interactors identified by 1 citations

Experiments performed 7 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AvanceIII - 700 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.08 mM U-[2H,15N] 1H-13C-IVLMAT, 1H-13C-15N FY FliT, 20 mM potassium phosphate, 100 mM potassium chloride, 0.5 mM EDTA, 5 mM beta-mercaptoethanol, 0.05 mM sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
7	EDTA	natural abundance	0.5 mM
8	FliT	U-[2H,15N] 1H-13C-IVLMAT, 1H-13C-15N FY	0.08 mM
9	beta-mercaptoethanol	natural abundance	5 mM
10	potassium chloride	natural abundance	100 mM
11	potassium phosphate	natural abundance	20 mM
12	sodium azide	natural abundance	0.05 mM

2 2D 1H-13C HSQC

Instrument

Bruker AvanceIII - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
7	EDTA	natural abundance	0.5 mM
8	FliT	U-[2H,15N] 1H-13C-IVLMAT, 1H-13C-15N FY	0.08 mM
9	beta-mercaptoethanol	natural abundance	5 mM
10	potassium chloride	natural abundance	100 mM
11	potassium phosphate	natural abundance	20 mM
12	sodium azide	natural abundance	0.05 mM

3 3D HNCA

Instrument

Bruker AvanceIII - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0, Details 0.5 mM [U-99% 13C; U-99% 15N; U-99% 2H] FliT, 20 mM potassium phosphate, 100 mM potassium chloride, 0.5 mM EDTA, 5 mM beta-mercaptoethanol, 0.05 % sodium azide, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	EDTA	natural abundance	0.5 mM
2	FliT	[U-99% 13C; U-99% 15N; U-99% 2H]	0.5 mM
3	beta-mercaptoethanol	natural abundance	5 mM
4	potassium chloride	natural abundance	100 mM
5	potassium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	0.05 %

4 3D 1H-15N NOESY

Instrument

Bruker AvanceIII - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
7	EDTA	natural abundance	0.5 mM
8	FliT	U-[2H,15N] 1H-13C-IVLMAT, 1H-13C-15N FY	0.08 mM
9	beta-mercaptoethanol	natural abundance	5 mM
10	potassium chloride	natural abundance	100 mM
11	potassium phosphate	natural abundance	20 mM
12	sodium azide	natural abundance	0.05 mM

5 3D 1H-13C NOESY aliphatic

Instrument

Bruker AvanceIII - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
7	EDTA	natural abundance	0.5 mM
8	FliT	U-[2H,15N] 1H-13C-IVLMAT, 1H-13C-15N FY	0.08 mM
9	beta-mercaptoethanol	natural abundance	5 mM
10	potassium chloride	natural abundance	100 mM
11	potassium phosphate	natural abundance	20 mM
12	sodium azide	natural abundance	0.05 mM

6 3D HNCO

Instrument

Bruker AvanceIII - 700 MHz

Sample

#	Name	Isotope labeling	Concentration
1	EDTA	natural abundance	0.5 mM
2	FliT	[U-99% 13C; U-99% 15N; U-99% 2H]	0.5 mM
3	beta-mercaptoethanol	natural abundance	5 mM
4	potassium chloride	natural abundance	100 mM
5	potassium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	0.05 %

7 3D 1H-13C NOESY aromatic

Instrument

Bruker AvanceIII - 900 MHz

Sample

#	Name	Isotope labeling	Concentration
7	EDTA	natural abundance	0.5 mM
8	FliT	U-[2H,15N] 1H-13C-IVLMAT, 1H-13C-15N FY	0.08 mM
9	beta-mercaptoethanol	natural abundance	5 mM
10	potassium chloride	natural abundance	100 mM
11	potassium phosphate	natural abundance	20 mM
12	sodium azide	natural abundance	0.05 mM

NMR combined restraints 7 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_30136_5ks6.nef
Input source #2: Coordindates	5ks6.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
MTSTVEFINRWQRIALLSQSLLELAQRGEWDLLLQQEVSYLQSIETVMEKQTPPGITRSIQDMVAGYIKQTLDNEQLLKGLLQQRLDELSSLIGQSTRQK
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MTSTVEFINRWQRIALLSQSLLELAQRGEWDLLLQQEVSYLQSIETVMEKQTPPGITRSIQDMVAGYIKQTLDNEQLLKGLLQQRLDELSSLIGQSTRQK

-------110-------120--
SLNNAYGRLSGMLLVPDAPGAS
||||||||||||||||||||||
SLNNAYGRLSGMLLVPDAPGAS

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	122	0	0	100.0

Content subtype: combined_30136_5ks6.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	487		93.4 (chain: A, length: 122)
1	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	934 (1)	noe	83.6 (chain: A, length: 122)
2	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	138 (1)	hbond	71.3 (chain: A, length: 122)
3	Distance restraints	CNS/XPLOR_distance_constraints_6	OK	138 (1)	hbond	71.3 (chain: A, length: 122)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	170 (170)	.	77.9 (chain: A, length: 122)
2	Dihedral angle restraints	CNS/XPLOR_dihedral_5	OK	170 (170)	.	77.9 (chain: A, length: 122)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 122, Sequence coverage: 93.4%
- Total number of assignments
  - ¹H chemical shifts: 190
  - ¹³C chemical shifts: 194
  - ¹⁵N chemical shifts: 103
- Completeness of assignments
  - Entity_assemble_ID: A
- 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	755	190	25.2
¹³C chemical shifts	550	194	35.3
¹⁵N chemical shifts	145	103	71.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	248	101	40.7
¹³C chemical shifts	244	108	44.3
¹⁵N chemical shifts	118	101	85.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	507	89	17.6
¹³C chemical shifts	306	86	28.1
¹⁵N chemical shifts	27	2	7.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	83	71	85.5
¹³C chemical shifts	83	71	85.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	29	18	62.1
¹³C chemical shifts	27	15	55.6
¹⁵N chemical shifts	2	2	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_4
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 122, Sequence coverage: 83.6%
- Total number of restraints: 934
- Weight of restraints: 1.0 (934)
- Potential type of restraints: square-well-parabolic (934)
- Range of distance target values: 2.22, 4.2 (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: CNS/XPLOR_distance_constraints_2
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 122, Sequence coverage: 71.3%
  - Total number of restraints: 138
  - Weight of restraints: 1.0 (138)
  - Potential type of restraints: square-well-parabolic (138)
  - Range of distance target values: 1.95, 2.9 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map
  - Saveframe: CNS/XPLOR_distance_constraints_6
    - Status: OK
    - Experiment type: hbond
    - Sequence coverage of experimental data
      - Entity_assembly_ID: A, Chain length: 122, Sequence coverage: 71.3%
    - Total number of restraints: 138
    - Weight of restraints: 1.0 (138)
    - Potential type of restraints: square-well-parabolic (138)
    - Range of distance target values: 1.95, 2.9 (Å)
    - Histogram of distance target values
    - Distance restraints per residue
      - Chain_ID: A
    - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 122, Sequence coverage: 77.9%
- Total number of restraints: 170
- Total number of restraints per polymer type: 170
- Weight of restraints: 1.0 (170)
- Potential type of restraints: square-well-parabolic (170)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A
- Saveframe: CNS/XPLOR_dihedral_5
  - Status: OK
  - Experiment type: .
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 122, Sequence coverage: 77.9%
  - Total number of restraints: 170
  - Total number of restraints per polymer type: 170
  - Weight of restraints: 1.0 (170)
  - Potential type of restraints: square-well-parabolic (170)
  - Plot of Phi-Psi angle restraints
  - Dihedral angle restraints per residue
    - Chain_ID: A

Keywords CHAPERONE, Flagella, assembly factors, chaperones

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (0.751 seconds)

BMRB: 30136

Sample #1

Sample #2

Entries sharing articles BMRB: 2 entries Detail

Related entities 1. Flagellar protein FliT, : 1 : 1 : 4 : 29 entities Detail

Interaction partners 1. Flagellar protein FliT, : 5 interactors Detail

Experiments performed 7 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 7 contents Detail