BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	94.0 % (752 of 800)	93.5 % (386 of 413)	93.4 % (285 of 305)	98.8 % (81 of 82)
Backbone	99.5 % (430 of 432)	99.3 % (147 of 148)	100.0 % (212 of 212)	98.6 % (71 of 72)
Sidechain	89.4 % (390 of 436)	90.2 % (239 of 265)	87.6 % (141 of 161)	100.0 % (10 of 10)
Aromatic	0.0 % (0 of 36)	0.0 % (0 of 18)	0.0 % (0 of 18)
Methyl	96.2 % (77 of 80)	97.5 % (39 of 40)	95.0 % (38 of 40)

1. entity 1

NLTKQKDAVS DTGTAAVVKV VESQAELYEL KNTNEKASLS KLVSSGNISQ KQADSYKAYY GKHSGETQTV AN

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 298 K, pH 6.0, Details 1.0 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	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]	1.0 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	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 % NA PEG/hexanol, 95% H2O/5% D2O

#	Name	Isotope labeling	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 %

Protein Blocks Logo

Calculated from 10 models in PDB: 6TXT, 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 pilin-like protein ComGC, : 1 : 3 entities Detail

Experiments performed 13 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 1.0 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	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]	1.0 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

#	Name	Isotope labeling	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]	1.0 mM
2	Na2HPO4/NaH2PO4	natural anundance	25 mM
3	NaCl	natural anundance	50 mM
4	D2O	natural anundance	5 %

3 3D HNCACB

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]	1.0 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 - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]	1.0 mM
2	Na2HPO4/NaH2PO4	natural anundance	25 mM
3	NaCl	natural anundance	50 mM
4	D2O	natural anundance	5 %

5 3D HNCO

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]	1.0 mM
2	Na2HPO4/NaH2PO4	natural anundance	25 mM
3	NaCl	natural anundance	50 mM
4	D2O	natural anundance	5 %

6 3D 15N, 13C NOESY

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]	1.0 mM
2	Na2HPO4/NaH2PO4	natural anundance	25 mM
3	NaCl	natural anundance	50 mM
4	D2O	natural anundance	5 %

7 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 % NA PEG/hexanol, 95% H2O/5% D2O

#	Name	Isotope labeling	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 %

8 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	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 %

9 3D HCCH-TOCSY

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]	1.0 mM
2	Na2HPO4/NaH2PO4	natural anundance	25 mM
3	NaCl	natural anundance	50 mM
4	D2O	natural anundance	5 %

10 3D CCCONH

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]	1.0 mM
2	Na2HPO4/NaH2PO4	natural anundance	25 mM
3	NaCl	natural anundance	50 mM
4	D2O	natural anundance	5 %

11 3D HCCCONH

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]	1.0 mM
2	Na2HPO4/NaH2PO4	natural anundance	25 mM
3	NaCl	natural anundance	50 mM
4	D2O	natural anundance	5 %

12 3D HN(CA)CO

Instrument

Bruker AVANCE III - 600 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]	1.0 mM
2	Na2HPO4/NaH2PO4	natural anundance	25 mM
3	NaCl	natural anundance	50 mM
4	D2O	natural anundance	5 %

13 3D HBHA(CO)NH

Instrument

Bruker AVANCE III - 800 MHz cryoprobe

Sample

#	Name	Isotope labeling	Concentration
1	ComGC	[U-100% 13C; U-100% 15N]	1.0 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	bmr34477_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: bmr34477_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	830		100.0 (chain: 1, length: 72)
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: 72, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 464
  - ¹³C chemical shifts: 285
  - 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
14	THR	HG1	1.074

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	413	385	93.2
¹³C chemical shifts	305	285	93.4
¹⁵N chemical shifts	82	81	98.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	148	147	99.3
¹³C chemical shifts	144	144	100.0
¹⁵N chemical shifts	72	71	98.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	265	238	89.8
¹³C chemical shifts	161	141	87.6
¹⁵N chemical shifts	10	10	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	40	39	97.5
¹³C chemical shifts	40	38	95.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	18	0	0.0
¹³C chemical shifts	18	0	0.0

Keywords STRUCTURAL PROTEIN, type IV filaments type IV pilin competence pseudopili mainly alpha orthogonal bundle

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Found 1 Document (0.457 seconds)

BMRB: 34477

Sample #1

Sample #2

Sample #3

Related entities 1. Competence pilin-like protein ComGC, : 1 : 3 entities Detail

Experiments performed 13 experiments Detail

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Chemical shift validation 3 contents Detail