BMRBj - BMREntryMaster

Found 1 Document (2.059 seconds)

BMRB: 6210

2B95

Backbone 1H, 13C, and 15N Chemical Shift Assignments for NESGC target hr2106

Authors

Liu, G., Atreya, H.S., Shih, L., Acton, T.T., Montelione, G., Szyperski, T.

Assembly

HR2106 dimer

Entity

1. HR2106 dimer (polymer, Thiol state: not present), 96 monomers, 10921.47 × 2 Da Detail

MAEVEETLKR LQSQKGVQGI IVVNTEGIPI KSTMDNPTTT QYASLMHSFI LKARSTVRDI DPQNDLTFLR IRSKKNEIMV APDKDYFLIV IQNPTE

Total weight

21842.94 Da

Max. entity weight

10921.47 Da

Source organism

Homo sapiens

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 89.4 %, Completeness (bb): 82.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.4 % (1025 of 1147)	97.8 % (587 of 600)	76.0 % (338 of 445)	98.0 % (100 of 102)
Backbone	82.0 % (464 of 566)	97.4 % (185 of 190)	66.7 % (190 of 285)	97.8 % (89 of 91)
Sidechain	96.6 % (651 of 674)	98.0 % (402 of 410)	94.1 % (238 of 253)	100.0 % (11 of 11)
Aromatic	80.0 % (40 of 50)	100.0 % (25 of 25)	60.0 % (15 of 25)
Methyl	97.5 % (119 of 122)	95.1 % (58 of 61)	100.0 % (61 of 61)

1. HR2106

MAEVEETLKR LQSQKGVQGI IVVNTEGIPI KSTMDNPTTT QYASLMHSFI LKARSTVRDI DPQNDLTFLR IRSKKNEIMV APDKDYFLIV IQNPTE

Show sample condition

Sample

Temperature 298 (±0.1) K, pH 6.5 (±0.1)

#	Name	Isotope labeling	Concentration
1	HR2106	[U-13 C; U-15 N]	1.3 mM
2	D2O		5 %
3	NaN3		0.02 %
4	DTT		10 mM
5	CaCl2		5 mM
6	NaCl		100 mM
7	MES		20 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	external	indirect	1.0
¹⁵N	na	na	null	null	0.0
¹³C	na	na	null	null	0.0

Referencing offset: 0.08 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	external	indirect	1.0
¹⁵N	na	na	null	null	0.0
¹³C	na	na	null	null	0.0

Referencing offset: 0.08 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹H	DSS	methyl protons	external	indirect	1.0
¹⁵N	na	na	null	null	0.0
¹³C	na	na	null	null	0.0

Referencing offset: -0.1 ppm, Outliers: 1 Detail

Release date

2007-08-28

Citation

1H and 15N Assigned Chemical Shifts for HR2106
Liu, G., Atreya, H.S., Shih, L., Acton, T., Montelione, G.T., Szyperski, T.
J. Biomol. NMR

Related entities 1. HR2106 dimer, : 1 : 21 : 3 : 56 entities Detail

Interaction partners 1. HR2106 dimer, : 32 interactors Detail

More details for 32 interactors identified by 12 citations

Experiments performed 7 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr6210_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: bmr6210_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	1180		100.0 (chain: 1, length: 96)
1	Chemical shift references	chemical_shift_reference	OK	1		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 96, Sequence coverage: 100.0%
- Total number of assignments
  - ¹⁵N chemical shifts: 107
  - ¹H chemical shifts: 734
  - ¹³C chemical shifts: 339
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
32	SER	HG	5.62
33	THR	HG1	6.24
39	THR	HG1	5.33
56	THR	HG1	4.94

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	107	107	100.0
¹H chemical shifts	600	600	100.0
¹³C chemical shifts	445	339	76.2

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Found 1 Document (2.059 seconds)

BMRB: 6210

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. HR2106 dimer, : 1 : 21 : 3 : 56 entities Detail

Interaction partners 1. HR2106 dimer, : 32 interactors Detail

Experiments performed 7 experiments Detail

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Chemical shift validation 3 contents Detail