BMRBj - BMREntryMaster

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BMRB: 34490

6Y1H

Major subunit ComGC from S. pneumoniae Com pseudopili

Authors

Sheppard, D., Berry, J.L., Matthews, S.J., Pelicic, V.

Assembly

Competence protein

Entity

1. Competence protein (polymer, Thiol state: not present), 71 monomers, 7933.679 Da Detail

NLTKQKEAVN DKGKAAVVKV VESQAELYSL EKNEDASLRK LQADGRITEE QAKAYKEYHD KNGGANRKVN D

Formula weight

7933.679 Da

Source organism

Streptococcus pneumoniae R6

Exptl. method

Refine. method

simulated annealing

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 93.4 %, Completeness (bb): 97.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	93.4 % (767 of 821)	90.6 % (393 of 434)	96.7 % (296 of 306)	96.3 % (78 of 81)
Backbone	97.4 % (415 of 426)	94.5 % (138 of 146)	99.5 % (208 of 209)	97.2 % (69 of 71)
Sidechain	90.7 % (419 of 462)	88.5 % (255 of 288)	94.5 % (155 of 164)	90.0 % (9 of 10)
Aromatic	42.9 % (12 of 28)	42.9 % (6 of 14)	42.9 % (6 of 14)
Methyl	98.6 % (69 of 70)	97.1 % (34 of 35)	100.0 % (35 of 35)

1. entity 1

NLTKQKEAVN DKGKAAVVKV VESQAELYSL EKNEDASLRK LQADGRITEE QAKAYKEYHD KNGGANRKVN D

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.8 mM [U-100% 13C; U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]		1.8 mM
2	Na2HPO4/NaH2PO4	natural anundance		25 mM
3	NaCl	natural anundance		50 mM
4	D2O	natural anundance		5 %

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.5 mM [U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
5	ComGC	[U-100% 15N]		0.5 mM
6	Na2HPO4/NaH2PO4	natural anundance		25 mM
7	NaCl	natural anundance		50 mM
8	D2O	natural anundance		5 %

Sample #3

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.5 mM [U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 3.0 % NA PEG/hexanol, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
9	ComGC	[U-100% 15N]		0.5 mM
10	Na2HPO4/NaH2PO4	natural anundance		25 mM
11	NaCl	natural anundance		50 mM
12	D2O	natural anundance		5 %
13	PEG/hexanol	natural anundance		3.0 %

Protein Blocks Logo

Calculated from 10 models in PDB: 6Y1H, Strand ID: A Detail

Release date

2020-04-08

Citation

The major subunit of widespread competence pili exhibits a novel and conserved type IV pilin fold
Sheppard, D., Berry, J.L., Denise, R., Rocha, E.P.C., Matthews, S.J., Pelicic, V.
J. Biol. Chem. (2020), 295, 6594-6604, PubMed 32273343 , DOI 10.1074/jbc.RA120.013316 , Abstract

Related entities 1. Competence protein, : 1 : 9 entities Detail

Experiments performed 15 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.8 mM [U-100% 13C; U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]		1.8 mM
2	Na2HPO4/NaH2PO4	natural anundance		25 mM
3	NaCl	natural anundance		50 mM
4	D2O	natural anundance		5 %

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.8 mM [U-100% 13C; U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]		1.8 mM
2	Na2HPO4/NaH2PO4	natural anundance		25 mM
3	NaCl	natural anundance		50 mM
4	D2O	natural anundance		5 %

3 3D CBCANH

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.8 mM [U-100% 13C; U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]		1.8 mM
2	Na2HPO4/NaH2PO4	natural anundance		25 mM
3	NaCl	natural anundance		50 mM
4	D2O	natural anundance		5 %

4 3D CBCA(CO)NH

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.8 mM [U-100% 13C; U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]		1.8 mM
2	Na2HPO4/NaH2PO4	natural anundance		25 mM
3	NaCl	natural anundance		50 mM
4	D2O	natural anundance		5 %

5 3D HNCA

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.8 mM [U-100% 13C; U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]		1.8 mM
2	Na2HPO4/NaH2PO4	natural anundance		25 mM
3	NaCl	natural anundance		50 mM
4	D2O	natural anundance		5 %

6 3D HNCO

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.8 mM [U-100% 13C; U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]		1.8 mM
2	Na2HPO4/NaH2PO4	natural anundance		25 mM
3	NaCl	natural anundance		50 mM
4	D2O	natural anundance		5 %

7 3D HN(CA)CO

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.8 mM [U-100% 13C; U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]		1.8 mM
2	Na2HPO4/NaH2PO4	natural anundance		25 mM
3	NaCl	natural anundance		50 mM
4	D2O	natural anundance		5 %

8 3D HCCCONH

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.8 mM [U-100% 13C; U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]		1.8 mM
2	Na2HPO4/NaH2PO4	natural anundance		25 mM
3	NaCl	natural anundance		50 mM
4	D2O	natural anundance		5 %

9 3D CCCONH

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.8 mM [U-100% 13C; U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]		1.8 mM
2	Na2HPO4/NaH2PO4	natural anundance		25 mM
3	NaCl	natural anundance		50 mM
4	D2O	natural anundance		5 %

10 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.8 mM [U-100% 13C; U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]		1.8 mM
2	Na2HPO4/NaH2PO4	natural anundance		25 mM
3	NaCl	natural anundance		50 mM
4	D2O	natural anundance		5 %

11 3D HBHA(CO)NH

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.8 mM [U-100% 13C; U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]		1.8 mM
2	Na2HPO4/NaH2PO4	natural anundance		25 mM
3	NaCl	natural anundance		50 mM
4	D2O	natural anundance		5 %

12 2D IPAP HSQC

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.5 mM [U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
5	ComGC	[U-100% 15N]		0.5 mM
6	Na2HPO4/NaH2PO4	natural anundance		25 mM
7	NaCl	natural anundance		50 mM
8	D2O	natural anundance		5 %

13 2D IPAP HSQC

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

State anisotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 0.5 mM [U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 3.0 % NA PEG/hexanol, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
9	ComGC	[U-100% 15N]		0.5 mM
10	Na2HPO4/NaH2PO4	natural anundance		25 mM
11	NaCl	natural anundance		50 mM
12	D2O	natural anundance		5 %
13	PEG/hexanol	natural anundance		3.0 %

14 3D 15N NOESY

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.8 mM [U-100% 13C; U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]		1.8 mM
2	Na2HPO4/NaH2PO4	natural anundance		25 mM
3	NaCl	natural anundance		50 mM
4	D2O	natural anundance		5 %

15 3D 13C NOESY

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

State isotropic, Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.8 mM [U-100% 13C; U-100% 15N] ComGC, 25 mM NA Na2HPO4/NaH2PO4, 50 mM NA NaCl, 5 % NA D2O, 95% H2O/5% D2O

#	Name	Isotope labeling	Type	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]		1.8 mM
2	Na2HPO4/NaH2PO4	natural anundance		25 mM
3	NaCl	natural anundance		50 mM
4	D2O	natural anundance		5 %

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr34490_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: bmr34490_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	863		100.0 (chain: 1, length: 71)
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: 71, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 476
  - ¹³C chemical shifts: 306
  - ¹⁵N chemical shifts: 81
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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 STRUCTURAL PROTEIN, type IV filaments type IV pilin competence pseudopili mainly alpha orthogonal bundle