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BMRB: 34464

6TPB

NMR structure of the apo-form of Pseudomonas fluorescens CopC

Authors

Persson, K.C., Mayzel, M., Karlsson, B.G., Peciulyte, A., Olsson, L., Wittung Stafshede, P., Salomon Johansen, K., Horvath, I.

Assembly

Putative copper resistance protein

Entity

1. Putative copper resistance protein (polymer, Thiol state: not present), 97 monomers, 10097.18 Da Detail

HAHLKSATPA ADSTVAAPAD LRLTFSEGVE ATFTKVSLSK DGTEVAIKGL ETPDADKKTL VVTPAAPLAA GNYKVVWNAV SVDTHKSNGE YSFKVGQ

Formula weight

10097.18 Da

Source organism

Pseudomonas fluorescens

Exptl. method

Refine. method

molecular dynamics

Data set

assigned_chemical_shifts, spectral_peak_list

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 92.4 %, Completeness (bb): 98.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	92.4 % (969 of 1049)	90.0 % (478 of 531)	95.2 % (400 of 420)	92.9 % (91 of 98)
Backbone	98.8 % (565 of 572)	98.5 % (192 of 195)	99.3 % (283 of 285)	97.8 % (90 of 92)
Sidechain	87.1 % (495 of 568)	85.1 % (286 of 336)	92.0 % (208 of 226)	16.7 % (1 of 6)
Aromatic	85.7 % (60 of 70)	85.7 % (30 of 35)	85.3 % (29 of 34)	100.0 % (1 of 1)
Methyl	93.7 % (118 of 126)	93.7 % (59 of 63)	93.7 % (59 of 63)

1. entity 1

HAHLKSATPA ADSTVAAPAD LRLTFSEGVE ATFTKVSLSK DGTEVAIKGL ETPDADKKTL VVTPAAPLAA GNYKVVWNAV SVDTHKSNGE YSFKVGQ

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 5.6, Details 0.7 mM [U-100% 13C; U-100% 15N] CopC, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	CopC	[U-100% 13C; U-100% 15N]		0.7 mM

Protein Blocks Logo

Calculated from 20 models in PDB: 6TPB, Strand ID: A Detail

Release date

2020-07-13

Citation

NMR structure of Pseudomonas fluorescens CopC
Persson, K.C., Mayzel, M., Karlsson, B.G., Peciulyte, A., Olsson, L., Wittung Stafshede, P., Salomon Johansen, K., Horvath, I.

Related entities 1. Putative copper resistance protein, : 1 : 1 : 2 : 22 entities Detail

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 5.6, Details 0.7 mM [U-100% 13C; U-100% 15N] CopC, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	CopC	[U-100% 13C; U-100% 15N]		0.7 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 5.6, Details 0.7 mM [U-100% 13C; U-100% 15N] CopC, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	CopC	[U-100% 13C; U-100% 15N]		0.7 mM

3 2D 1H-13C HSQC aromatic

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 5.6, Details 0.7 mM [U-100% 13C; U-100% 15N] CopC, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	CopC	[U-100% 13C; U-100% 15N]		0.7 mM

4 3D HNCO

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 5.6, Details 0.7 mM [U-100% 13C; U-100% 15N] CopC, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	CopC	[U-100% 13C; U-100% 15N]		0.7 mM

5 3D HN(CA)CO

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 5.6, Details 0.7 mM [U-100% 13C; U-100% 15N] CopC, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	CopC	[U-100% 13C; U-100% 15N]		0.7 mM

6 3D HNCA

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 5.6, Details 0.7 mM [U-100% 13C; U-100% 15N] CopC, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	CopC	[U-100% 13C; U-100% 15N]		0.7 mM

7 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 5.6, Details 0.7 mM [U-100% 13C; U-100% 15N] CopC, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	CopC	[U-100% 13C; U-100% 15N]		0.7 mM

8 3D HN(COCA)CB

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 5.6, Details 0.7 mM [U-100% 13C; U-100% 15N] CopC, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	CopC	[U-100% 13C; U-100% 15N]		0.7 mM

9 3D HNCACB

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 5.6, Details 0.7 mM [U-100% 13C; U-100% 15N] CopC, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	CopC	[U-100% 13C; U-100% 15N]		0.7 mM

10 3D HN(CO)CA

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 5.6, Details 0.7 mM [U-100% 13C; U-100% 15N] CopC, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	CopC	[U-100% 13C; U-100% 15N]		0.7 mM

11 3D 1H-13C NOESY aromatic

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 5.6, Details 0.7 mM [U-100% 13C; U-100% 15N] CopC, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	CopC	[U-100% 13C; U-100% 15N]		0.7 mM

12 3D 1H-13C NOESY aliphatic

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 5.6, Details 0.7 mM [U-100% 13C; U-100% 15N] CopC, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	CopC	[U-100% 13C; U-100% 15N]		0.7 mM

13 3D C(CO)NH

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 5.6, Details 0.7 mM [U-100% 13C; U-100% 15N] CopC, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	CopC	[U-100% 13C; U-100% 15N]		0.7 mM

14 3D H(CCO)NH

Instrument

Bruker AVANCE III - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 bar, Temperature 298 K, pH 5.6, Details 0.7 mM [U-100% 13C; U-100% 15N] CopC, 90% H2O/10% D2O

#	Name	Isotope labeling	Type	Concentration
1	CopC	[U-100% 13C; U-100% 15N]		0.7 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34464_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: bmr34464_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1085		100.0 (chain: 1, length: 97)
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: 97, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 595
  - ¹³C chemical shifts: 400
  - ¹⁵N chemical shifts: 90
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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

Keywords CHAPERONE, Copper binding, histidine brace, periplasmic