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Found 1 Document (1.248 seconds)

BMRB: 4165

1BB8

1H, 13C, and 15N Chemical Shift Assignments for Tn916 N-terminal DNA Binding Domain complex with DNA

Authors

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

Assembly

Tn916 integrase DNA complex

Entity

1. Tn916 integrase (polymer, Thiol state: not present), 74 monomers, 8687.736 Da Detail

MSEKRRDNRG RILKTGESQR KDGRYLYKYI DSFGEPQFVY SWKLVATDRV PAGKRDAISL REKIAELQKD IHDG

2. DNA binding site of Tn916 integrase (polymer, Thiol state: not present), 13 monomers, 4077.619 Da Detail

GAGTAGTAAA TTC

3. DNA binding site of Tn916 integrase (polymer, Thiol state: not present), 13 monomers, 3988.557 Da Detail

GAATTTACTA CTC

Total weight

16753.912 Da

Max. entity weight

8687.736 Da

Source organism

Enterococcus faecalis

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 72.0 %, Completeness: 64.2 %, Completeness (bb): 57.4 % Detail

Polymer type: polypeptide(L) polydeoxyribonucleotide

	Total	¹H	¹³C	¹⁵N
All	64.2 % (738 of 1150)	56.8 % (415 of 730)	72.6 % (249 of 343)	96.1 % (74 of 77)
Backbone	57.4 % (357 of 622)	43.1 % (144 of 334)	66.7 % (144 of 216)	95.8 % (69 of 72)
Sidechain	74.5 % (444 of 596)	68.4 % (271 of 396)	86.2 % (168 of 195)	100.0 % (5 of 5)
Aromatic	31.7 % (38 of 120)	22.1 % (19 of 86)	54.5 % (18 of 33)	100.0 % (1 of 1)
Methyl	87.7 % (64 of 73)	78.0 % (32 of 41)	100.0 % (32 of 32)

1. Tn916 integrase

MSEKRRDNRG RILKTGESQR KDGRYLYKYI DSFGEPQFVY SWKLVATDRV PAGKRDAISL REKIAELQKD IHDG

2. DNA binding site of Tn916 integrase

GAGTAGTAAA TTC

3. DNA binding site of Tn916 integrase

GAATTTACTA CTC

Show sample condition

Sample

Temperature 300 (±1) K, pH 6.0 (±0.2)

#	Name	Concentration
1	Tn916 integrase	1.0 mM
2	DNA binding site of Tn916 integrase	1.0 mM
3	DNA binding site of Tn916 integrase	1.0 mM

Chem. Shift Complete2

Sequence coverage: 28.0 %, Completeness: 39.9 %, Completeness (bb): 38.6 % Detail

Polymer type: polypeptide(L) polydeoxyribonucleotide

	Total	¹H	¹³C	¹⁵N
All	39.9 % (917 of 2300)	37.3 % (545 of 1460)	41.7 % (286 of 686)	55.8 % (86 of 154)
Backbone	38.6 % (480 of 1244)	33.7 % (225 of 668)	40.3 % (174 of 432)	56.3 % (81 of 144)
Sidechain	42.9 % (511 of 1192)	40.5 % (321 of 792)	47.4 % (185 of 390)	50.0 % (5 of 10)
Aromatic	26.2 % (63 of 240)	25.6 % (44 of 172)	27.3 % (18 of 66)	50.0 % (1 of 2)
Methyl	52.7 % (77 of 146)	50.0 % (41 of 82)	56.3 % (36 of 64)

1. Tn916 integrase

MSEKRRDNRG RILKTGESQR KDGRYLYKYI DSFGEPQFVY SWKLVATDRV PAGKRDAISL REKIAELQKD IHDG

2. DNA binding site of Tn916 integrase

GAGTAGTAAA TTC

3. DNA binding site of Tn916 integrase

GAATTTACTA CTC

Show sample condition

Sample

Temperature 300 (±1) K, pH 6.0 (±0.2)

#	Name	Concentration
1	Tn916 integrase	1.0 mM
2	DNA binding site of Tn916 integrase	1.0 mM
3	DNA binding site of Tn916 integrase	1.0 mM

Chem. Shift Complete3

Sequence coverage: 26.0 %, Completeness: 31.8 %, Completeness (bb): 30.5 % Detail

Polymer type: polypeptide(L) polydeoxyribonucleotide

	Total	¹H	¹³C	¹⁵N
All	31.8 % (1098 of 3450)	32.1 % (703 of 2190)	29.5 % (304 of 1029)	39.4 % (91 of 231)
Backbone	30.5 % (570 of 1866)	29.7 % (298 of 1002)	28.7 % (186 of 648)	39.8 % (86 of 216)
Sidechain	33.9 % (607 of 1788)	34.3 % (407 of 1188)	33.3 % (195 of 585)	33.3 % (5 of 15)
Aromatic	25.0 % (90 of 360)	27.5 % (71 of 258)	18.2 % (18 of 99)	33.3 % (1 of 3)
Methyl	39.7 % (87 of 219)	41.5 % (51 of 123)	37.5 % (36 of 96)

1. Tn916 integrase

MSEKRRDNRG RILKTGESQR KDGRYLYKYI DSFGEPQFVY SWKLVATDRV PAGKRDAISL REKIAELQKD IHDG

2. DNA binding site of Tn916 integrase

GAGTAGTAAA TTC

3. DNA binding site of Tn916 integrase

GAATTTACTA CTC

Show sample condition

Sample

Temperature 300 (±1) K, pH 6.0 (±0.2)

#	Name	Concentration
1	Tn916 integrase	1.0 mM
2	DNA binding site of Tn916 integrase	1.0 mM
3	DNA binding site of Tn916 integrase	1.0 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: -0.02 ppm, Outliers: 1 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: -0.02 ppm, Outliers: 1 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

2000-03-15

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, : 1 : 4 : 3 entities Detail

Experiments performed 1 experiments Detail

Chemical shift validation 7 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4165_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: bmr4165_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_one	Warning	786	97.3 (chain: 1, length: 74)
2	Assigned chemical shifts	assigned_chemical_shifts_two	OK	96	100.0 (chain: 2, length: 13)
3	Assigned chemical shifts	assigned_chemical_shifts_three	Warning	96	100.0 (chain: 3, length: 13)
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: 74, Sequence coverage: 97.3%
- Total number of assignments
  - ¹H chemical shifts: 475
  - ¹³C chemical shifts: 231
  - ¹⁵N chemical shifts: 80
- 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
Saveframe: assigned_chemical_shifts_two
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 2, Chain length: 13, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 96
- Completeness of assignments
  - Entity_assemble_ID: 2
- Histogram of normalized assigned chemical shifts
Saveframe: assigned_chemical_shifts_three
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 3, Chain length: 13, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 96
- Completeness of assignments
  - Entity_assemble_ID: 3
- Histogram of normalized assigned chemical shifts

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
25	TYR	HH	11.03
40	TYR	HH	10.8
41	SER	HG	5.72

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	479	408	85.2
¹³C chemical shifts	343	231	67.3
¹⁵N chemical shifts	86	80	93.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	152	144	94.7
¹³C chemical shifts	148	67	45.3
¹⁵N chemical shifts	72	69	95.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	327	264	80.7
¹³C chemical shifts	195	164	84.1
¹⁵N chemical shifts	14	11	78.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	33	32	97.0
¹³C chemical shifts	33	32	97.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	34	19	55.9
¹³C chemical shifts	33	18	54.5
¹⁵N chemical shifts	1	1	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	123	88	71.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	91	59	64.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	32	29	90.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	4	4	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	13	13	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	128	86	67.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	91	56	61.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	37	30	81.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	5	5	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	9	9	100.0

Keywords DNA complex, NMR, nuclear magnetic resonance, Tn916 Integrase

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Found 1 Document (1.248 seconds)

BMRB: 4165

Sample

Sample

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Tn916 integrase, : 1 : 4 : 3 entities Detail

Experiments performed 1 experiments Detail

Instrument

Sample

Chemical shift validation 7 contents Detail