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Found 1 Document (0.733 seconds)

BMRB: 18771

2LZS

TatA oligomer

Authors

Rodriguez, F.M., Rouse, S.L., Tait, C., Harmer, J., de Riso, A., Timmel, C.R., Sansom, M.S., Berks, B.C., Schnell, J.R.

Assembly

TatA oligomer

Entity

1. TatA oligomer (polymer, Thiol state: not present), 55 monomers, 5997.988 × 9 Da Detail

XGGISIWQLL IIAVIVVLLF GTKKLGSIGS DLGASIKGFK KAMSDDEPKH HHHHH

Total weight

53981.89 Da

Max. entity weight

5997.988 Da

Source organism

Escherichia coli

Exptl. method

solution NMR

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 83.6 %, Completeness: 25.8 %, Completeness (bb): 32.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	25.8 % (163 of 631)	23.5 % (76 of 324)	16.7 % (42 of 252)	81.8 % (45 of 55)
Backbone	32.6 % (105 of 322)	40.4 % (46 of 114)	9.0 % (14 of 155)	84.9 % (45 of 53)
Sidechain	18.0 % (64 of 356)	14.3 % (30 of 210)	23.6 % (34 of 144)	0.0 % (0 of 2)
Aromatic	0.0 % (0 of 56)	0.0 % (0 of 28)	0.0 % (0 of 27)	0.0 % (0 of 1)
Methyl	80.6 % (58 of 72)	80.6 % (29 of 36)	80.6 % (29 of 36)

1. TatA oligomer

XGGISIWQLL IIAVIVVLLF GTKKLGSIGS DLGASIKGFK KAMSDDEPKH HHHHH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
1	TatA oligomer	[U-15N]	0.5 mM
2	DPC	natural abundance	30 mM
3	H2O	natural abundance	95 %
4	D2O	natural abundance	5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0, Details *13C/1H-labelled at Ile-delta, Leu-delta, and Val-gamma.

#	Name	Isotope labeling	Concentration
5	TatA oligomer	[U-13C; U-15N; U-2H]*	0.5 mM
6	DPC	[U-2H]	30 mM
7	H2O	natural abundance	95 %
8	D2O	natural abundance	5 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7.0

#	Name	Isotope labeling	Concentration
9	TatA oligomer	[U-13C; U-15N]	0.5 mM
10	DPC	[U-2H]	30 mM
11	H2O	natural abundance	95 %
12	D2O	natural abundance	5 %

Protein Blocks Logo

Calculated from 1 models in PDB: 2LZS, Strand ID: A, B, C, D, E, F, G, H, I Detail

Release date

2013-03-17

Citation

Structural model for the protein-translocating element of the twin-arginine transport system
Rodriguez, F., Rouse, S.L., Tait, C.E., Harmer, J., De Riso, A., Timmel, C.R., Sansom, M.S.P., Berks, B.C., Schnell, J.R.
Proc. Natl. Acad. Sci. U. S. A. (2013), 110, E1092-E1101, PubMed 23471988 , DOI 10.1073/pnas.1219486110 , Abstract

Related entities 1. TatA oligomer, : 1 : 5 : 110 entities Detail

Interaction partners 1. TatA oligomer, : 3 interactors Detail

More details for 3 interactors identified by 2 citations

Experiments performed 4 experiments Detail

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_18771_2lzs.nef
Input source #2: Coordindates	2lzs.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	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:1:FME:C	1:2:GLY:N	unknown	unknown	n/a
2:1:FME:C	2:2:GLY:N	unknown	unknown	n/a
3:1:FME:C	3:2:GLY:N	unknown	unknown	n/a
4:1:FME:C	4:2:GLY:N	unknown	unknown	n/a
5:1:FME:C	5:2:GLY:N	unknown	unknown	n/a
6:1:FME:C	6:2:GLY:N	unknown	unknown	n/a
7:1:FME:C	7:2:GLY:N	unknown	unknown	n/a
8:1:FME:C	8:2:GLY:N	unknown	unknown	n/a
9:1:FME:C	9:2:GLY:N	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
A	1	FME	N-FORMYLMETHIONINE	Coordinates
B	1	FME	N-FORMYLMETHIONINE	Assigned chemical shifts, Coordinates
C	1	FME	N-FORMYLMETHIONINE	Coordinates
D	1	FME	N-FORMYLMETHIONINE	Coordinates
E	1	FME	N-FORMYLMETHIONINE	Coordinates
F	1	FME	N-FORMYLMETHIONINE	Coordinates
G	1	FME	N-FORMYLMETHIONINE	Coordinates
H	1	FME	N-FORMYLMETHIONINE	Coordinates
I	1	FME	N-FORMYLMETHIONINE	Coordinates

Sequence alignments

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

--------10--------20--------30--------40--------50-----
XGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||
XGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH

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

--------10--------20--------30--------40--------50-----
XGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||
XGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH

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

--------10--------20--------30--------40--------50-----
XGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||
XGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH

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

--------10--------20--------30--------40--------50-----
XGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||
XGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH

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

--------10--------20--------30--------40--------50-----
XGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||
XGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH

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

--------10--------20--------30--------40--------50-----
XGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||
XGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH

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

--------10--------20--------30--------40--------50-----
XGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||
XGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH

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

--------10--------20--------30--------40--------50-----
XGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||
XGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH

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

--------10--------20--------30--------40--------50-----
XGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||
XGGISIWQLLIIAVIVVLLFGTKKLGSIGSDLGASIKGFKKAMSDDEPKHHHHHH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Sequence coverage (%)
A	A	55	100.0
B	B	55	100.0
C	C	55	100.0
D	D	55	100.0
E	E	55	100.0
F	F	55	100.0
G	G	55	100.0
H	H	55	100.0
I	I	55	100.0

Content subtype: combined_18771_2lzs.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	9		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	OK	152		83.6 (chain: B, length: 55)
1	Distance restraints	CNS/XPLOR_distance_constraints_4	Warning	117 (1)	undefined	7.3 (chain: A, length: 55), 7.3 (chain: B, length: 55), 7.3 (chain: C, length: 55), 7.3 (chain: D, length: 55), 7.3 (chain: E, length: 55), 7.3 (chain: F, length: 55), 7.3 (chain: G, length: 55), 7.3 (chain: H, length: 55), 7.3 (chain: I, length: 55)
2	Distance restraints	CNS/XPLOR_distance_constraints_5	OK	5809 (1)	noe	81.8 (chain: A, length: 55), 81.8 (chain: B, length: 55), 81.8 (chain: C, length: 55), 81.8 (chain: D, length: 55), 81.8 (chain: E, length: 55), 81.8 (chain: F, length: 55), 81.8 (chain: G, length: 55), 81.8 (chain: H, length: 55), 81.8 (chain: I, length: 55)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	665 (665)	.	69.1 (chain: B, length: 55), 69.1 (chain: C, length: 55), 69.1 (chain: D, length: 55), 69.1 (chain: E, length: 55), 69.1 (chain: F, length: 55), 69.1 (chain: G, length: 55), 69.1 (chain: H, length: 55)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: B, Chain length: 55, Sequence coverage: 83.6%
- Total number of assignments
  - ¹H chemical shifts: 76
  - ¹³C chemical shifts: 31
  - ¹⁵N chemical shifts: 45
- Completeness of assignments
  - Entity_assemble_ID: B
- 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: B

Comp_index_ID	Comp_ID
1	FME

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	324	74	22.8
¹³C chemical shifts	252	30	11.9
¹⁵N chemical shifts	55	44	80.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	114	44	38.6
¹³C chemical shifts	108	0	0.0
¹⁵N chemical shifts	53	44	83.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	210	30	14.3
¹³C chemical shifts	144	30	20.8
¹⁵N chemical shifts	2	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	37	30	81.1
¹³C chemical shifts	37	30	81.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	28	0	0.0
¹³C chemical shifts	27	0	0.0
¹⁵N chemical shifts	1	0	0.0

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_4
- Status: Warning
- Experiment type: undefined
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 55, Sequence coverage: 7.3%
  - Entity_assembly_ID: B, Chain length: 55, Sequence coverage: 7.3%
  - Entity_assembly_ID: C, Chain length: 55, Sequence coverage: 7.3%
  - Entity_assembly_ID: D, Chain length: 55, Sequence coverage: 7.3%
  - Entity_assembly_ID: E, Chain length: 55, Sequence coverage: 7.3%
  - Entity_assembly_ID: F, Chain length: 55, Sequence coverage: 7.3%
  - Entity_assembly_ID: G, Chain length: 55, Sequence coverage: 7.3%
  - Entity_assembly_ID: H, Chain length: 55, Sequence coverage: 7.3%
  - Entity_assembly_ID: I, Chain length: 55, Sequence coverage: 7.3%
- Total number of restraints: 117
- Weight of restraints: 1.0 (117)
- Potential type of restraints: square-well-parabolic (117)
- Range of distance target values: 10.3, 29.6 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
  - Chain_ID: B
  - Chain_ID: C
  - Chain_ID: D
  - Chain_ID: E
  - Chain_ID: F
  - Chain_ID: G
  - Chain_ID: H
  - Chain_ID: I
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_5
  - Status: OK
  - Experiment type: noe
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 55, Sequence coverage: 81.8%
    - Entity_assembly_ID: B, Chain length: 55, Sequence coverage: 81.8%
    - Entity_assembly_ID: C, Chain length: 55, Sequence coverage: 81.8%
    - Entity_assembly_ID: D, Chain length: 55, Sequence coverage: 81.8%
    - Entity_assembly_ID: E, Chain length: 55, Sequence coverage: 81.8%
    - Entity_assembly_ID: F, Chain length: 55, Sequence coverage: 81.8%
    - Entity_assembly_ID: G, Chain length: 55, Sequence coverage: 81.8%
    - Entity_assembly_ID: H, Chain length: 55, Sequence coverage: 81.8%
    - Entity_assembly_ID: I, Chain length: 55, Sequence coverage: 81.8%
  - Total number of restraints: 5788
  - Weight of restraints: 1.0 (5788)
  - Potential type of restraints: square-well-parabolic (5788)
  - Range of distance target values: 2.25, 18.0 (Å)
  - Histogram of distance target values
  - Histogram of discrepancy in distance target values
  - Distance restraints per residue
    - Chain_ID: A
    - Chain_ID: B
    - Chain_ID: C
    - Chain_ID: D
    - Chain_ID: E
    - Chain_ID: F
    - Chain_ID: G
    - Chain_ID: H
    - Chain_ID: I
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: B, Chain length: 55, Sequence coverage: 69.1%
  - Entity_assembly_ID: C, Chain length: 55, Sequence coverage: 69.1%
  - Entity_assembly_ID: D, Chain length: 55, Sequence coverage: 69.1%
  - Entity_assembly_ID: E, Chain length: 55, Sequence coverage: 69.1%
  - Entity_assembly_ID: F, Chain length: 55, Sequence coverage: 69.1%
  - Entity_assembly_ID: G, Chain length: 55, Sequence coverage: 69.1%
  - Entity_assembly_ID: H, Chain length: 55, Sequence coverage: 69.1%
- Total number of restraints: 665
- Total number of restraints per polymer type: 665
- Weight of restraints: 1.0 (665)
- Potential type of restraints: square-well-parabolic (665)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: B
  - Chain_ID: C
  - Chain_ID: D
  - Chain_ID: E
  - Chain_ID: F
  - Chain_ID: G
  - Chain_ID: H

Keywords TatA oligomer in DPC

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Found 1 Document (0.733 seconds)

BMRB: 18771

Sample #1

Sample #2

Sample #3

Related entities 1. TatA oligomer, : 1 : 5 : 110 entities Detail

Interaction partners 1. TatA oligomer, : 3 interactors Detail

Experiments performed 4 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 5 contents Detail