BMRBj - BMREntryMaster

Found 1 Document (1.288 seconds)

BMRB: 4560

5TDU

Assignment of 1H, 13C and 15N signals of a recombinant effector protein (T4MOD) in Toluene-4-monooxygenase complex

Authors

Hemmi, H., Chae, Y., Studts, J.M., Fox, B.G., Markley, J.L.

Assembly

T4MOD

Entity

1. T4MOD (polymer, Thiol state: not present), 102 monomers, 11486.75 Da Detail

STLADQALHN NNVGPIIRAG DLVEPVIETA EIDNPGKEIT VEDRRAYVRI AAEGELILTR KTLEEQLGRP FNMQELEINL ASFAGQIQAD EDQIRFYFDK TM

Formula weight

11486.75 Da

Source organism

Pseudomonas mendocina

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.0 %, Completeness: 95.8 %, Completeness (bb): 95.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	95.8 % (1131 of 1181)	95.8 % (589 of 615)	95.4 % (435 of 456)	97.3 % (107 of 110)
Backbone	95.5 % (577 of 604)	95.1 % (196 of 206)	95.3 % (286 of 300)	96.9 % (95 of 98)
Sidechain	96.1 % (647 of 673)	96.1 % (393 of 409)	96.0 % (242 of 252)	100.0 % (12 of 12)
Aromatic	93.3 % (56 of 60)	93.3 % (28 of 30)	93.3 % (28 of 30)
Methyl	96.1 % (123 of 128)	95.3 % (61 of 64)	96.9 % (62 of 64)

1. T4MOD

STLADQALHN NNVGPIIRAG DLVEPVIETA EIDNPGKEIT VEDRRAYVRI AAEGELILTR KTLEEQLGRP FNMQELEINL ASFAGQIQAD EDQIRFYFDK TM

Show sample condition

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	T4MOD	[U-13C; U-15N]		1.1 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	T4MOD			2.5 ~ 3.5 mM

LACS Plot; CA

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

Referencing offset: -0.15 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.15 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.12 ppm, Outliers: 3 Detail

LACS Plot; CO

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

Referencing offset: 0.27 ppm, Outliers: 3 Detail

Release date

2000-04-02

Citation

Letter to the Editor: Assignment of 1H, 13C and 15N signals of a recombinant effector protein (T4MOD) in Toluene-4-monooxygenase complex
Hemmi, H., Chae, Y.K., Studts, J.M., Fox, B.G., Markley, J.L.
J. Biomol. NMR (2000), 16, 359-360, PubMed

Related entities 1. T4MOD, : 1 : 16 : 4 : 19 entities Detail

Interaction partners 1. T4MOD, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC

Instrument

#1 Model Bruker DMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	T4MOD	[U-13C; U-15N]		1.1 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	T4MOD			2.5 ~ 3.5 mM

2 3D HNCA

Instrument

#1 Model Bruker DMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	T4MOD	[U-13C; U-15N]		1.1 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	T4MOD			2.5 ~ 3.5 mM

3 3D HNCO

Instrument

#1 Model Bruker DMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	T4MOD	[U-13C; U-15N]		1.1 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	T4MOD			2.5 ~ 3.5 mM

4 3D HN(CO)CA

Instrument

#1 Model Bruker DMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	T4MOD	[U-13C; U-15N]		1.1 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	T4MOD			2.5 ~ 3.5 mM

5 3D CCONH

Instrument

#1 Model Bruker DMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	T4MOD	[U-13C; U-15N]		1.1 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	T4MOD			2.5 ~ 3.5 mM

6 3D HNCACB

Instrument

#1 Model Bruker DMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	T4MOD	[U-13C; U-15N]		1.1 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	T4MOD			2.5 ~ 3.5 mM

7 3D HCCONH

Instrument

#1 Model Bruker DMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	T4MOD	[U-13C; U-15N]		1.1 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	T4MOD			2.5 ~ 3.5 mM

8 3D HCCH-COSY

Instrument

#1 Model Bruker DMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	T4MOD	[U-13C; U-15N]		1.1 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	T4MOD			2.5 ~ 3.5 mM

9 3D HCCH-TOCSY

Instrument

#1 Model Bruker DMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	T4MOD	[U-13C; U-15N]		1.1 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	T4MOD			2.5 ~ 3.5 mM

10 2D 1H-1H NOESY

Instrument

#1 Model Bruker DMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	T4MOD	[U-13C; U-15N]		1.1 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	T4MOD			2.5 ~ 3.5 mM

11 2D 1H-1H TOCSY

Instrument

#1 Model Bruker DMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	T4MOD	[U-13C; U-15N]		1.1 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	T4MOD			2.5 ~ 3.5 mM

12 3D CT-13C-HSQC

Instrument

#1 Model Bruker DMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	T4MOD	[U-13C; U-15N]		1.1 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	T4MOD			2.5 ~ 3.5 mM

13 3D 1H-1H-15N NOESY

Instrument

#1 Model Bruker DMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	T4MOD	[U-13C; U-15N]		1.1 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	T4MOD			2.5 ~ 3.5 mM

14 3D 13C-1H-1H NOESY

Instrument

#1 Model Bruker DMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	T4MOD	[U-13C; U-15N]		1.1 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	T4MOD			2.5 ~ 3.5 mM

15 3D 15N TOCSY-HSQC

Instrument

#1 Model Bruker DMX (500 MHz)

#2 Model Bruker DMX (600 MHz)

Sample #1

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
1	T4MOD	[U-13C; U-15N]		1.1 mM

Sample #2

Temperature 298 (±0.1) K, pH 7.0 (±0.1)

#	Name	Isotope labeling	Type	Concentration
2	T4MOD			2.5 ~ 3.5 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4560_3.str
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

Content subtype: bmr4560_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	1299		99.0 (chain: 1, length: 102)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: shift_set_1

Status: Warning

Sequence coverage of experimental data

Entity_assembly_ID: 1, Chain length: 102, Sequence coverage: 99.0%

--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100
STLADQALHNNNVGPIIRAGDLVEPVIETAEIDNPGKEITVEDRRAYVRIAAEGELILTRKTLEEQLGRPFNMQELEINLASFAGQIQADEDQIRFYFDK
 |||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
.TLADQALHNNNVGPIIRAGDLVEPVIETAEIDNPGKEITVEDRRAYVRIAAEGELILTRKTLEEQLGRPFNMQELEINLASFAGQIQADEDQIRFYFDK

--
TM
||
TM

Total number of assignments
- ¹H chemical shifts: 730
- ¹³C chemical shifts: 458
- ¹⁵N chemical shifts: 111

Completeness of assignments

Entity_assemble_ID: 1

Excluded Atom_ID in statistics

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
6	GLN	CD	180.43
10	ASN	CG	176.93
11	ASN	CG	176.93
12	ASN	CG	176.03
18	ARG	CZ	158.85
34	ASN	CG	179.43
49	ARG	CZ	159.53
60	ARG	CZ	159.35
66	GLN	CD	178.23
69	ARG	CZ	160.13
72	ASN	CG	176.73
74	GLN	CD	180.43
79	ASN	CG	177.63
86	GLN	CD	180.53
88	GLN	CD	180.03
93	GLN	CD	180.23

All atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	615	602	97.9
¹³C chemical shifts	456	442	96.9
¹⁵N chemical shifts	117	111	94.9

Backbone atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	206	202	98.1
¹³C chemical shifts	204	196	96.1
¹⁵N chemical shifts	98	95	96.9

Side chain atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	409	400	97.8
¹³C chemical shifts	252	246	97.6
¹⁵N chemical shifts	19	16	84.2

Methyl group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	66	64	97.0
¹³C chemical shifts	66	64	97.0

Aromatic group atoms

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	30	28	93.3
¹³C chemical shifts	30	28	93.3

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: 1

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Found 1 Document (1.288 seconds)

BMRB: 4560

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Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. T4MOD, : 1 : 16 : 4 : 19 entities Detail

Interaction partners 1. T4MOD, : 1 interactors Detail

Experiments performed 15 experiments Detail

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Chemical shift validation 3 contents Detail