BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	27.0 % (359 of 1332)	30.5 % (212 of 694)	21.4 % (111 of 519)	30.3 % (36 of 119)
Backbone	29.8 % (192 of 644)	34.2 % (75 of 219)	25.2 % (81 of 321)	34.6 % (36 of 104)
Sidechain	25.8 % (204 of 791)	28.8 % (137 of 475)	22.3 % (67 of 301)	0.0 % (0 of 15)
Aromatic	12.7 % (18 of 142)	25.4 % (18 of 71)	0.0 % (0 of 67)	0.0 % (0 of 4)
Methyl	30.5 % (36 of 118)	32.2 % (19 of 59)	28.8 % (17 of 59)

1. Grx8

MSAFVTKAEE MIKSHPYFQL SASWCPDCVY ANSIWNKLNV QDKVFVFDIG SLPRNEQEKW RIAFQKVVGS RNLPTIVVNG KFWGTESQLH RFEAKGTLEE ELTKIGLLP

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 303 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	Grx8	natural abundance	0.0 ~ 0.0 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	2 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

Sample #2

Solvent system 100% D2O, Pressure 1 Pa, Temperature 303 K, pH 5.5

#	Name	Isotope labeling	Concentration
7	Grx8	natural abundance	0.0 ~ 0.0 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	DTT	natural abundance	2 mM
11	D2O	natural abundance	100 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2M80, Strand ID: A Detail

Release date

2015-08-31

Citation

Structure-guided activity enhancement and catalytic mechanism of yeast grx8
Tang, Y., Zhang, J., Yu, J., Xu, L., Wu, J., Zhou, C., Shi, Y.
Biochemistry (2014), 53, 2185-2196, PubMed 24611845 , DOI 10.1021/bi401293s , Abstract

Related entities 1. Grx8, : 1 : 2 : 61 entities Detail

Interaction partners 1. Grx8, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 11 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 303 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	Grx8	natural abundance	0.0 ~ 0.0 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	2 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

2 3D HCCH-COSY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 Pa, Temperature 303 K, pH 5.5

#	Name	Isotope labeling	Concentration
7	Grx8	natural abundance	0.0 ~ 0.0 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	DTT	natural abundance	2 mM
11	D2O	natural abundance	100 %

3 3D HCCH-TOCSY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 Pa, Temperature 303 K, pH 5.5

#	Name	Isotope labeling	Concentration
7	Grx8	natural abundance	0.0 ~ 0.0 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	DTT	natural abundance	2 mM
11	D2O	natural abundance	100 %

4 3D 1H-13C NOESY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 Pa, Temperature 303 K, pH 5.5

#	Name	Isotope labeling	Concentration
7	Grx8	natural abundance	0.0 ~ 0.0 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium chloride	natural abundance	50 mM
10	DTT	natural abundance	2 mM
11	D2O	natural abundance	100 %

5 3D CBCA(CO)NH

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 303 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	Grx8	natural abundance	0.0 ~ 0.0 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	2 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

6 3D C(CO)NH

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 303 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	Grx8	natural abundance	0.0 ~ 0.0 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	2 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

7 3D HNCO

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 303 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	Grx8	natural abundance	0.0 ~ 0.0 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	2 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

8 3D H(CCO)NH

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 303 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	Grx8	natural abundance	0.0 ~ 0.0 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	2 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

9 3D HNCACB

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 303 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	Grx8	natural abundance	0.0 ~ 0.0 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	2 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

10 3D HBHA(CO)NH

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 303 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	Grx8	natural abundance	0.0 ~ 0.0 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	2 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

11 3D 1H-15N NOESY

Instrument

Bruker DMX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 Pa, Temperature 303 K, pH 5.5

#	Name	Isotope labeling	Concentration
1	Grx8	natural abundance	0.0 ~ 0.0 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	50 mM
4	DTT	natural abundance	2 mM
5	H2O	natural abundance	90 %
6	D2O	natural abundance	10 %

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints	combined_19218_2m80.nef
Input source #2: Coordindates	2m80.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
MGHHHHHHMSAFVTKAEEMIKSHPYFQLSASWCPDCVYANSIWNKLNVQDKVFVFDIGSLPRNEQEKWRIAFQKVVGSRNLPTIVVNGKFWGTESQLHRF
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MGHHHHHHMSAFVTKAEEMIKSHPYFQLSASWCPDCVYANSIWNKLNVQDKVFVFDIGSLPRNEQEKWRIAFQKVVGSRNLPTIVVNGKFWGTESQLHRF

-------110-------
EAKGTLEEELTKIGLLP
|||||||||||||||||
EAKGTLEEELTKIGLLP

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	117	0	0	100.0

Content subtype: combined_19218_2m80.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	312		29.1 (chain: A, length: 117)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	2266 (1)	noe	93.2 (chain: A, length: 117)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 117, Sequence coverage: 29.1%
- Total number of assignments
  - ¹H chemical shifts: 191
  - ¹³C chemical shifts: 89
  - ¹⁵N chemical shifts: 32
- Completeness of assignments
- 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: A

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 117, Sequence coverage: 93.2%
- Total number of restraints: 2258
- Weight of restraints: 1.0 (2258)
- Potential type of restraints: square-well-parabolic (2258)
- Range of distance target values: 2.4, 3.9 (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

Keywords Amino Acid Sequence, GSH-dependenet oxireductase, Glutaredoxins, Glutathione, Glutathione Disulfide, Molecular Sequence Data, Nuclear Magnetic Resonance, Oxidation-Reduction, Protein Structure, Saccharomyces cerevisiae, Saccharomyces cerevisiae Proteins, Sequence Alignment, Tertiary

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Found 1 Document (1.032 seconds)

BMRB: 19218

Sample #1

Sample #2

Related entities 1. Grx8, : 1 : 2 : 61 entities Detail

Interaction partners 1. Grx8, : 1 interactors Detail

Experiments performed 11 experiments Detail

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NMR combined restraints 3 contents Detail