BMRBj - BMREntryMaster

Found 1 Document (1.154 seconds)

BMRB: 4160

1BB8

Resonance Assignments of the Tn916 Integrase DNA-Binding Domain and Integrase: DNA Complex

Authors

Connolly, K.M., Wojciak, J.M., Clubb, R.T.

Assembly

Tn916 integrase subunit 1

Entity

1. Tn916 integrase subunit 1 (polymer, Thiol state: all free), 81 monomers, 9459.703 Da Detail

MSEKRRDNRG RILKTGESQR KDGRYLYKYI DSFGEPQFVY SWKLVATDRV PAGKRDCISL REKIAELQKD IHDGIDVVGK K

Formula weight

9459.703 Da

Source organism

Enterococcus faecalis

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 97.5 %, Completeness: 80.5 %, Completeness (bb): 82.4 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	80.5 % (792 of 984)	83.0 % (435 of 524)	73.4 % (276 of 376)	96.4 % (81 of 84)
Backbone	82.4 % (397 of 482)	96.4 % (161 of 167)	67.8 % (160 of 236)	96.2 % (76 of 79)
Sidechain	81.1 % (467 of 576)	76.8 % (274 of 357)	87.9 % (188 of 214)	100.0 % (5 of 5)
Aromatic	60.3 % (41 of 68)	64.7 % (22 of 34)	54.5 % (18 of 33)	100.0 % (1 of 1)
Methyl	95.9 % (71 of 74)	94.6 % (35 of 37)	97.3 % (36 of 37)

1. Tn916 integrase subunit

MSEKRRDNRG RILKTGESQR KDGRYLYKYI DSFGEPQFVY SWKLVATDRV PAGKRDCISL REKIAELQKD IHDGIDVVGK K

Show sample condition

Sample

Temperature 300 (±1) K, pH 6.0 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	Tn916 integrase subunit	[U-15N; U-13C]		1.3 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	null	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.12 ppm, Outliers: 5 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	null	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.12 ppm, Outliers: 5 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	null	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 4 Detail

Release date

2000-02-22

Citation 1

Resonance assignments of the Tn916 integrase DNA-binding domain and the integrase:DNA complex
Connolly, K.M., Wojciak, J.M., Clubb, R.T.
J. Biomol. NMR (1999), 14, 95-96, PubMed 10382314 , Abstract

Show more 1 citaion

Citation 2

1H, 13C and 15N chemical shift referencing in biomolecular NMR
Wishart, D.S., Bigam, C.G., Yao, J., Abildgaard, F., Dyson, H.J., Oldfield, E., Markley, J.L., Sykes, B.D.
J. Biomol. NMR (1995), 6, 135-140, PubMed 8589602 , DOI 10.1007/bf00211777 , Abstract

Hide non-primary 1 citaion

Related entities 1. Tn916 integrase subunit 1, : 1 : 1 : 1 : 3 : 1 entities Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4160_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: bmr4160_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_one	Warning	855		97.5 (chain: 1, length: 81)
1	Chemical shift references	chemical_shift_reference_one	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_one
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 81, Sequence coverage: 97.5%
- Total number of assignments
  - ¹H chemical shifts: 505
  - ¹³C chemical shifts: 267
  - ¹⁵N chemical shifts: 83
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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

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Found 1 Document (1.154 seconds)

BMRB: 4160

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Tn916 integrase subunit 1, : 1 : 1 : 1 : 3 : 1 entities Detail

Chemical shift validation 3 contents Detail

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	524	434	82.8
¹³C chemical shifts	376	267	71.0
¹⁵N chemical shifts	93	83	89.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	167	161	96.4
¹³C chemical shifts	162	79	48.8
¹⁵N chemical shifts	79	76	96.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	357	273	76.5
¹³C chemical shifts	214	188	87.9
¹⁵N chemical shifts	14	7	50.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	34	22	64.7
¹³C chemical shifts	33	18	54.5
¹⁵N chemical shifts	1	1	100.0