BMRBj - BMREntryMaster

Found 1 Document (1.407 seconds)

BMRB: 4105

1QLK

1H, 13C, and 15N Resonance Assignments for Reduced Calcium-Bound S100B from Rat

Authors

Drohat, A.C., Baldisseri, D.M., Rustandi, R.R., Weber, D.J.

Assembly

S100B

Entity

1. S100B (polymer), 92 monomers, 10743.93 × 2 Da Detail

MSELEKAMVA LIDVFHQYSG REGDKHKLKK SELKELINNE LSHFLEEIKE QEVVDKVMET LDEDGDGECD FQEFMAFVSM VTTACHEFFE HE

2. CALCIUM ION (non-polymer), 40.078 × 2 Da

Total weight

21568.016 Da

Max. entity weight

10743.93 Da

Source organism

Rattus norvegicus

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 96.7 %, Completeness: 85.2 %, Completeness (bb): 79.5 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	85.2 % (929 of 1091)	92.6 % (525 of 567)	74.2 % (317 of 427)	89.7 % (87 of 97)
Backbone	79.5 % (439 of 552)	93.6 % (176 of 188)	65.4 % (178 of 272)	92.4 % (85 of 92)
Sidechain	91.5 % (574 of 627)	92.1 % (349 of 379)	91.8 % (223 of 243)	40.0 % (2 of 5)
Aromatic	77.6 % (76 of 98)	79.6 % (39 of 49)	75.5 % (37 of 49)
Methyl	100.0 % (86 of 86)	100.0 % (43 of 43)	100.0 % (43 of 43)

1. S100B

MSELEKAMVA LIDVFHQYSG REGDKHKLKK SELKELINNE LSHFLEEIKE QEVVDKVMET LDEDGDGECD FQEFMAFVSM VTTACHEFFE HE

Show sample condition

Sample #1

Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	S100B	[U-15N]	1.5 mM
2	calcium_chloride		6.1 mM
3	EDTA		0.1 mM
4	sodium_azide		0.34 mM
5	dithiothreitol		5 mM
6	d11-Tris-HCl		6.0 ~ 10.0 mM
7	sodium_chloride		17.0 ~ 20.0 mM
8	D2O		5.0 ~ 100.0 %

Sample #2

Temperature 310 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	S100B	[U-13C;U-15N]	1.5 mM
10	calcium_chloride		6.1 mM
11	EDTA		0.1 mM
12	sodium_azide		0.34 mM
13	dithiothreitol		5 mM
14	d11-Tris-HCl		6.0 ~ 10.0 mM
15	sodium_chloride		17.0 ~ 20.0 mM
16	D2O		5.0 ~ 100.0 %

LACS Plot; CA

Referencing offset: -0.36 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: -0.36 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: -0.03 ppm, Outliers: 1 Detail

Release date

1999-03-21

Citation

Solution Structure of Calcium-Bound S100B(Beta Beta) as Determined by Nuclear Magnetic Resonance Spectroscopy
Drohat, A.C., Baldisseri, D.M., Rustandi, R.R., Weber, D.J.
Biochemistry (1998), 37, 1951-1960, DOI:

Related entities 1. S100B, : 1 : 7 : 2 : 1 : 262 entities Detail

Interaction partners 1. S100B, : 3 interactors Detail

More details for 3 interactors identified by 3 citations

Experiments performed 1 experiments Detail

Chemical shift validation 4 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4105_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: bmr4105_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chemical_shift_assignment_one	Warning	1029		96.7 (chain: 1, length: 92)

Assigned chemical shifts

Saveframe: chemical_shift_assignment_one
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 92, Sequence coverage: 96.7%
- Total number of assignments
  - ¹H chemical shifts: 627
  - ¹⁵N chemical shifts: 88
  - ¹³C chemical shifts: 314
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	567	533	94.0
¹⁵N chemical shifts	98	88	89.8
¹³C chemical shifts	427	314	73.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	188	178	94.7
¹⁵N chemical shifts	92	86	93.5
¹³C chemical shifts	184	89	48.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	379	355	93.7
¹⁵N chemical shifts	6	2	33.3
¹³C chemical shifts	243	225	92.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	48	47	97.9
¹³C chemical shifts	48	47	97.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	49	39	79.6
¹³C chemical shifts	49	37	75.5

Keywords calcium binding protein, dimer, EF-hand, S100, S-100, S100B, S100beta, S100 protein

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Found 1 Document (1.407 seconds)

BMRB: 4105

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. S100B, : 1 : 7 : 2 : 1 : 262 entities Detail

Interaction partners 1. S100B, : 3 interactors Detail

Experiments performed 1 experiments Detail

Instrument

Sample #1

Sample #2

Chemical shift validation 4 contents Detail