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BMRB: 51104

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1H, 13C and 15N chemical shift assignments of the ZnR and GYF cytoplasmic domains of the GltJ protein from Myxococcus xanthus

Authors

Attia, B., Serrano, B., Bornet, O., Guerlesquin, F., Elantak, L.

Assembly

GltJ-ZnR

Entity

1. GltJ-ZnR, entity 1 (polymer, Thiol state: all other bound), 45 monomers, 4940.835 Da Detail

MARFVCDSCR AQYMISDDKI GPKGVKVRCK KCGHTITVRP AGALE

2. GltJ-ZnR, entity ZN (non-polymer), 65.409 Da

Total weight

5006.244 Da

Max. entity weight

4940.835 Da

Entity Connection

ID	Type	Value order	Atom ID 1	Atom ID 2
1	na	sing	1:CYS6:SG	2:ZN1:ZN
2	na	sing	1:CYS9:SG	2:ZN1:ZN
3	na	sing	1:CYS29:SG	2:ZN1:ZN
4	na	sing	1:CYS32:SG	2:ZN1:ZN

Source organism

Myxococcus xanthus

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 88.9 %, Completeness (bb): 95.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	88.9 % (455 of 512)	88.4 % (236 of 267)	89.8 % (177 of 197)	87.5 % (42 of 48)
Backbone	95.5 % (254 of 266)	94.6 % (87 of 92)	96.2 % (126 of 131)	95.3 % (41 of 43)
Sidechain	83.6 % (240 of 287)	85.1 % (149 of 175)	84.1 % (90 of 107)	20.0 % (1 of 5)
Aromatic	31.8 % (7 of 22)	63.6 % (7 of 11)	0.0 % (0 of 11)
Methyl	100.0 % (44 of 44)	100.0 % (22 of 22)	100.0 % (22 of 22)

1. entity 1

MARFVCDSCR AQYMISDDKI GPKGVKVRCK KCGHTITVRP AGALE

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	GltJ-ZnR	[U-100% 13C; U-100% 15N]		0.45 mM
2	D2O	[U-100% 2H]		5 %
3	sodium phosphate	natural abundance		10 mM

Release date

2021-09-26

Citation

¹H, ¹³C and ¹⁵N chemical shift assignments of the ZnR and GYF cytoplasmic domains of the GltJ protein from Myxococcus xanthus
Attia, B., Serrano, B., Bornet, O., Guerlesquin, F., My, L., Castaing, J.P., Mignot, T., Elantak, L.
Biomol. NMR Assign. (2022), 16, 219-223, PubMed 35445965 , DOI 10.1007/s12104-022-10083-6 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 51096 released on 2021-09-22
Title 1H, 13C and 15N chemical shift assignments of the GYF cytoplasmic domain of the GltJ protein from Myxococcus xanthus

Related entities 1. GltJ-ZnR, entity 1, : 1 : 130 entities Detail

Experiments performed 10 experiments Detail

1 3D CBCACONH

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	GltJ-ZnR	[U-100% 13C; U-100% 15N]		0.45 mM
2	D2O	[U-100% 2H]		5 %
3	sodium phosphate	natural abundance		10 mM

2 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	GltJ-ZnR	[U-100% 13C; U-100% 15N]		0.45 mM
2	D2O	[U-100% 2H]		5 %
3	sodium phosphate	natural abundance		10 mM

3 3D HNCO

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	GltJ-ZnR	[U-100% 13C; U-100% 15N]		0.45 mM
2	D2O	[U-100% 2H]		5 %
3	sodium phosphate	natural abundance		10 mM

4 3D HN(CA)CO

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	GltJ-ZnR	[U-100% 13C; U-100% 15N]		0.45 mM
2	D2O	[U-100% 2H]		5 %
3	sodium phosphate	natural abundance		10 mM

5 3D HNCA

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	GltJ-ZnR	[U-100% 13C; U-100% 15N]		0.45 mM
2	D2O	[U-100% 2H]		5 %
3	sodium phosphate	natural abundance		10 mM

6 3D HN(CO)CA

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	GltJ-ZnR	[U-100% 13C; U-100% 15N]		0.45 mM
2	D2O	[U-100% 2H]		5 %
3	sodium phosphate	natural abundance		10 mM

7 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	GltJ-ZnR	[U-100% 13C; U-100% 15N]		0.45 mM
2	D2O	[U-100% 2H]		5 %
3	sodium phosphate	natural abundance		10 mM

8 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	GltJ-ZnR	[U-100% 13C; U-100% 15N]		0.45 mM
2	D2O	[U-100% 2H]		5 %
3	sodium phosphate	natural abundance		10 mM

9 3D 1H-15N TOCSY

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	GltJ-ZnR	[U-100% 13C; U-100% 15N]		0.45 mM
2	D2O	[U-100% 2H]		5 %
3	sodium phosphate	natural abundance		10 mM

10 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE III - 600 MHz

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 303 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	GltJ-ZnR	[U-100% 13C; U-100% 15N]		0.45 mM
2	D2O	[U-100% 2H]		5 %
3	sodium phosphate	natural abundance		10 mM

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr51104_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	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)
1:6:CYS:SG	2:1:ZN:ZN	reduced, CA 59.88918504, CB 31.79801935 ppm	unknown	n/a
1:9:CYS:SG	2:1:ZN:ZN	oxidized 12.2%, reduced 87.8%, CA 59.19127152, CB 32.4427994 ppm	unknown	n/a
1:29:CYS:SG	2:1:ZN:ZN	reduced, CA 60.07612823, CB 30.7605519 ppm	unknown	n/a
1:32:CYS:SG	2:1:ZN:ZN	oxidized 31.2%, reduced 68.8%, CA 58.51449562, CB 32.98419498 ppm	unknown	n/a

Non-standard residues

None

Content subtype: bmr51104_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	514		100.0 (chain: 1, length: 45)
1	Chemical shift references	chem_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 45, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 181
  - ¹H chemical shifts: 291
  - ¹⁵N chemical shifts: 42
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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: 1