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BMRB: 30676

6UF2

NMR structure of biofilm-related EbsA from Synechococcus elongatus

Authors

Zhang, N., LiWang, A.L.

Assembly

Biofilm-related protein

Entity

1. Biofilm-related protein (polymer), 125 monomers, 14412.23 Da Detail

MRIDELVPAD PRAVSLYTPY YSQANRRRYL PYALSLYQGS SIEGSRAVEG GAPISFVATW TVTPLPADMT RCHLQFNNDA ELTYEILLPN HEFLEYLIDM LMGYQRMQKT DFPGAFYRRL LGYDS

Formula weight

14412.23 Da

Source organism

Synechococcus elongatus PCC 7942 = FACHB-805

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.4 %, Completeness: 65.7 %, Completeness (bb): 72.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	65.7 % (978 of 1489)	72.0 % (552 of 767)	53.6 % (314 of 586)	82.4 % (112 of 136)
Backbone	72.0 % (527 of 732)	86.3 % (214 of 248)	54.9 % (202 of 368)	95.7 % (111 of 116)
Sidechain	61.0 % (534 of 875)	63.8 % (331 of 519)	60.4 % (203 of 336)	0.0 % (0 of 20)
Aromatic	2.5 % (4 of 158)	2.5 % (2 of 79)	2.6 % (2 of 78)	0.0 % (0 of 1)
Methyl	71.6 % (96 of 134)	71.6 % (48 of 67)	71.6 % (48 of 67)

1. entity 1

MRIDELVPAD PRAVSLYTPY YSQANRRRYL PYALSLYQGS SIEGSRAVEG GAPISFVATW TVTPLPADMT RCHLQFNNDA ELTYEILLPN HEFLEYLIDM LMGYQRMQKT DFPGAFYRRL LGYDS

Show sample condition

Sample

Solvent system 95% H2O/5% D2O, Pressure 1013.25 mbar, Temperature 295 K, pH 7, Details 0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	EbsA	[U-99% 13C; U-99% 15N]		0.6 mM

Protein Blocks Logo

Calculated from 10 models in PDB: 6UF2, Strand ID: A Detail

Release date

2019-11-14

Citation

Solution NMR structure of Se0862, a highly conserved cyanobacterial protein involved in biofilm formation
Zhang, N., Chang, Y.G., Tseng, R., Ovchinnikov, S., Schwarz, R., LiWang, A.
Protein Sci. (2020), 29, 2274-2280, PubMed 32949024 , DOI 10.1002/pro.3952 , Abstract

Related entities 1. Biofilm-related protein, : 1 : 1 entities Detail

Experiments performed 18 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 600 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1013.25 mbar, Temperature 295 K, pH 7, Details 0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	EbsA	[U-99% 13C; U-99% 15N]		0.6 mM

2 2D 1H-13C HSQC

Instrument

Bruker AVANCE III - 600 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1013.25 mbar, Temperature 295 K, pH 7, Details 0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	EbsA	[U-99% 13C; U-99% 15N]		0.6 mM

3 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1013.25 mbar, Temperature 295 K, pH 7, Details 0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	EbsA	[U-99% 13C; U-99% 15N]		0.6 mM

4 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1013.25 mbar, Temperature 295 K, pH 7, Details 0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	EbsA	[U-99% 13C; U-99% 15N]		0.6 mM

5 3D HNCO

Instrument

Bruker AVANCE III - 600 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1013.25 mbar, Temperature 295 K, pH 7, Details 0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	EbsA	[U-99% 13C; U-99% 15N]		0.6 mM

6 3D HN(CA)CO

Instrument

Bruker AVANCE III - 600 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1013.25 mbar, Temperature 295 K, pH 7, Details 0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	EbsA	[U-99% 13C; U-99% 15N]		0.6 mM

7 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 600 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1013.25 mbar, Temperature 295 K, pH 7, Details 0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	EbsA	[U-99% 13C; U-99% 15N]		0.6 mM

8 3D HCCH-COSY

Instrument

Bruker AVANCE III - 600 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1013.25 mbar, Temperature 295 K, pH 7, Details 0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	EbsA	[U-99% 13C; U-99% 15N]		0.6 mM

9 3D HCCH-COSY

Instrument

Bruker AVANCE III - 600 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1013.25 mbar, Temperature 295 K, pH 7, Details 0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	EbsA	[U-99% 13C; U-99% 15N]		0.6 mM

10 3D 1H-13C NOESY

Instrument

Bruker AVANCE III - 600 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1013.25 mbar, Temperature 295 K, pH 7, Details 0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	EbsA	[U-99% 13C; U-99% 15N]		0.6 mM

11 3D 1H-15N NOESY

Instrument

Bruker AVANCE III - 600 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1013.25 mbar, Temperature 295 K, pH 7, Details 0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	EbsA	[U-99% 13C; U-99% 15N]		0.6 mM

12 3D IPAP-HNCO

Instrument

Bruker AVANCE III - 600 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1013.25 mbar, Temperature 295 K, pH 7, Details 0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	EbsA	[U-99% 13C; U-99% 15N]		0.6 mM

13 2D (HB)CB(CDCGCE)HE

Instrument

Bruker AVANCE III - 600 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1013.25 mbar, Temperature 295 K, pH 7, Details 0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	EbsA	[U-99% 13C; U-99% 15N]		0.6 mM

14 2D (HB)CB(CDCG)HG

Instrument

Bruker AVANCE III - 600 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1013.25 mbar, Temperature 295 K, pH 7, Details 0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	EbsA	[U-99% 13C; U-99% 15N]		0.6 mM

15 3D CC(CO)NH

Instrument

Bruker AVANCE III - 600 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1013.25 mbar, Temperature 295 K, pH 7, Details 0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	EbsA	[U-99% 13C; U-99% 15N]		0.6 mM

16 3D HCCH(CO)NH

Instrument

Bruker AVANCE III - 600 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1013.25 mbar, Temperature 295 K, pH 7, Details 0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	EbsA	[U-99% 13C; U-99% 15N]		0.6 mM

17 3D HBHA(CO)NH

Instrument

Bruker AVANCE III - 600 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1013.25 mbar, Temperature 295 K, pH 7, Details 0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	EbsA	[U-99% 13C; U-99% 15N]		0.6 mM

18 4D 13C-13C NOESY

Instrument

Bruker AVANCE III - 600 MHz TCI cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1013.25 mbar, Temperature 295 K, pH 7, Details 0.6 mM [U-99% 13C; U-99% 15N] EbsA, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	EbsA	[U-99% 13C; U-99% 15N]		0.6 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr30676_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: bmr30676_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1376		98.4 (chain: 1, length: 125)
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: 125, Sequence coverage: 98.4%
- Total number of assignments
  - ¹H chemical shifts: 794
  - ¹³C chemical shifts: 461
  - ¹⁵N chemical shifts: 121
- 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 UNKNOWN FUNCTION, biofilm, secretion