BMRBj - BMREntryMaster

Found 1 Document (1.255 seconds)

BMRB: 6379

4LGW

Backbone HN, N, C', CA, CB assignments of Escherichia coli SdiA1-171

Authors

Yao, Y., Martinez-Yamout, M.A., Dyson, H.JANE.

Assembly

SdiA

Entity

1. sdia (polymer, Thiol state: all free), 171 monomers, 20368.09 Da Detail

MSDKDFFSWR RTMLLRFQRM ETAEEVYHEI ELQAQQLEYD YYSLCVRHPV PFTRPKVAFY TNYPEAWVSY YQAKNFLAID PVLNPENFSQ GHLMWNDDLF SEAQPLWEAA RAHGLRRGVT QYLMLPERAL GFLSFSRCSA REIPILSDEL QLKMQLLVRE SLMALMRLND E

2. N-(2-OXOTETRAHYDROFURAN-3-YL)OCTANAMIDE (non-polymer), 227.300 Da

Total weight

20595.39 Da

Max. entity weight

20368.09 Da

Source organism

Escherichia coli

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.2 %, Completeness: 43.2 %, Completeness (bb): 80.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	43.2 % (910 of 2107)	22.4 % (247 of 1101)	61.4 % (506 of 824)	86.3 % (157 of 182)
Backbone	80.9 % (815 of 1008)	53.1 % (179 of 337)	94.1 % (479 of 509)	96.9 % (157 of 162)
Sidechain	19.7 % (250 of 1266)	9.0 % (69 of 764)	37.6 % (181 of 482)	0.0 % (0 of 20)
Aromatic	1.7 % (4 of 236)	3.4 % (4 of 118)	0.0 % (0 of 114)	0.0 % (0 of 4)
Methyl	27.3 % (48 of 176)	21.6 % (19 of 88)	33.0 % (29 of 88)

1. sdia

MSDKDFFSWR RTMLLRFQRM ETAEEVYHEI ELQAQQLEYD YYSLCVRHPV PFTRPKVAFY TNYPEAWVSY YQAKNFLAID PVLNPENFSQ GHLMWNDDLF SEAQPLWEAA RAHGLRRGVT QYLMLPERAL GFLSFSRCSA REIPILSDEL QLKMQLLVRE SLMALMRLND E

Show sample condition

Sample

Temperature 293 (±0.2) K, pH 4.2 (±0.2)

#	Name	Isotope labeling	Type	Concentration
1	sdia	[U-13C; U-15N; U-2H]		0.3 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.01 ppm	external	direct	1.0
¹³C	DSS	methyl protons	0.01 ppm	external	indirect	0.2514495
¹⁵N	DSS	methyl protons	0.01 ppm	external	indirect	0.1013291

Referencing offset: 0.88 ppm, Outliers: 3 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.01 ppm	external	direct	1.0
¹³C	DSS	methyl protons	0.01 ppm	external	indirect	0.2514495
¹⁵N	DSS	methyl protons	0.01 ppm	external	indirect	0.1013291

Referencing offset: 0.88 ppm, Outliers: 3 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Value	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	0.01 ppm	external	direct	1.0
¹³C	DSS	methyl protons	0.01 ppm	external	indirect	0.2514495
¹⁵N	DSS	methyl protons	0.01 ppm	external	indirect	0.1013291

Referencing offset: 0.18 ppm, Outliers: 1 Detail

Release date

2005-07-25

Citation

Backbone and side chain 1H, 13C and 15N assignments for Escherichia coli SdiA1-171, the autoinducer-binding domain of a quorum sensing protein
Yao, Y., Martinez-Yamout, M.A., Dyson, H.JANE.
J. Biomol. NMR (2005), 31, 373-374, PubMed 15929010 , DOI 10.1007/s10858-005-2470-0 , Abstract

Related entities 1. sdia, : 1 : 1 : 3 : 5 entities Detail

Interaction partners 1. sdia, : 5 interactors Detail

More details for 5 interactors identified by 3 citations

Experiments performed 6 experiments Detail

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr6379_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: bmr6379_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chem_shift_list_1	Warning	778		97.1 (chain: 1, length: 171)
1	Chemical shift references	chemical_shift_referencing	OK	3		No information

Assigned chemical shifts

Saveframe: chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 171, Sequence coverage: 97.1%
- Total number of assignments
  - ¹³C chemical shifts: 468
  - ¹H chemical shifts: 155
  - ¹⁵N chemical shifts: 155
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	824	468	56.8
¹H chemical shifts	1101	155	14.1
¹⁵N chemical shifts	196	155	79.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	342	320	93.6
¹H chemical shifts	337	155	46.0
¹⁵N chemical shifts	162	155	95.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	482	148	30.7
¹H chemical shifts	764	0	0.0
¹⁵N chemical shifts	34	0	0.0

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Found 1 Document (1.255 seconds)

BMRB: 6379

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. sdia, : 1 : 1 : 3 : 5 entities Detail

Interaction partners 1. sdia, : 5 interactors Detail

Experiments performed 6 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 4 contents Detail