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BMRB: 18154

2M6R

apo_YqcA

Authors

Jin, C., Fu, W.

Assembly

YqcA from Escherichia coli

Entity

1. YqcA from Escherichia coli (polymer, Thiol state: all free), 149 monomers, 16273.98 Da Detail

MAEIGIFVGT MYGNSLLVAE EAEAILTAQG HKATVFEDPE LSDWLPYQDK YVLVVTSTTG QGDLPDSIVP LFQGIKDSLG FQPNLRYGVI ALGDSSYVNF CNGGKQFDAL LQEQSAQRVG EMLLIDASEN PEPETESNPW VEQWGTLLS

Formula weight

16273.98 Da

Source organism

Escherichia coli

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.3 %, Completeness: 87.1 %, Completeness (bb): 93.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	87.1 % (1475 of 1693)	88.3 % (768 of 870)	85.4 % (566 of 663)	88.1 % (141 of 160)
Backbone	93.3 % (819 of 878)	93.8 % (285 of 304)	94.5 % (409 of 433)	88.7 % (125 of 141)
Sidechain	82.7 % (786 of 950)	85.3 % (483 of 566)	78.6 % (287 of 365)	84.2 % (16 of 19)
Aromatic	28.6 % (40 of 140)	47.1 % (33 of 70)	6.0 % (4 of 67)	100.0 % (3 of 3)
Methyl	95.5 % (168 of 176)	95.5 % (84 of 88)	95.5 % (84 of 88)

1. entity

MAEIGIFVGT MYGNSLLVAE EAEAILTAQG HKATVFEDPE LSDWLPYQDK YVLVVTSTTG QGDLPDSIVP LFQGIKDSLG FQPNLRYGVI ALGDSSYVNF CNGGKQFDAL LQEQSAQRVG EMLLIDASEN PEPETESNPW VEQWGTLLS

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	protein	[U-15N]		1 mM
2	sodium phosphate	natural abundance		30 mM
3	DTT	natural abundance		40 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

Sample #2

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-13C; U-15N]		1 mM
7	sodium phosphate	natural abundance		30 mM
8	DTT	natural abundance		40 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

Release date

2014-04-21

Citation

¹H, ¹³C and ¹⁵N resonance assignments of the apo and holo states of flavodoxin YqcA from Escherichia coli
Ye, Q., Hu, Y., Jin, C.
Biomol. NMR Assign. (2014), 8, 269-273, PubMed 23749454 , DOI 10.1007/s12104-013-9498-y , Abstract

Related entities 1. YqcA from Escherichia coli, : 1 : 2 : 1 : 143 entities Detail

Experiments performed 9 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	protein	[U-15N]		1 mM
2	sodium phosphate	natural abundance		30 mM
3	DTT	natural abundance		40 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

2 3D HNCO

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-13C; U-15N]		1 mM
7	sodium phosphate	natural abundance		30 mM
8	DTT	natural abundance		40 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

3 3D CBCA(CO)NH

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-13C; U-15N]		1 mM
7	sodium phosphate	natural abundance		30 mM
8	DTT	natural abundance		40 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

4 3D HNCA

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-13C; U-15N]		1 mM
7	sodium phosphate	natural abundance		30 mM
8	DTT	natural abundance		40 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

5 3D HNCACB

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-13C; U-15N]		1 mM
7	sodium phosphate	natural abundance		30 mM
8	DTT	natural abundance		40 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

6 3D HCCH-TOCSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-13C; U-15N]		1 mM
7	sodium phosphate	natural abundance		30 mM
8	DTT	natural abundance		40 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

7 3D HCCH-COSY

Instrument

Bruker Avance - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-13C; U-15N]		1 mM
7	sodium phosphate	natural abundance		30 mM
8	DTT	natural abundance		40 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

8 3D 1H-15N NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	protein	[U-15N]		1 mM
2	sodium phosphate	natural abundance		30 mM
3	DTT	natural abundance		40 mM
4	H2O	natural abundance		90 %
5	D2O	natural abundance		10 %

9 3D 1H-13C NOESY

Instrument

Bruker Avance - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Type	Concentration
6	protein	[U-13C; U-15N]		1 mM
7	sodium phosphate	natural abundance		30 mM
8	DTT	natural abundance		40 mM
9	H2O	natural abundance		90 %
10	D2O	natural abundance		10 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr18154_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: bmr18154_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1628		96.0 (chain: 1, length: 149)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 149, Sequence coverage: 96.0%
- Total number of assignments
  - ¹H chemical shifts: 931
  - ¹³C chemical shifts: 560
  - ¹⁵N chemical shifts: 137
- 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

Keywords alpha/beta/alpha sandwich fold