BMRBj - BMREntryMaster

Found 1 Document (0.413 seconds)

BMRB: 15817

5C7R

Type III antifreeze protein isoform HPLC-12

Authors

Siemer, A.B., McDermott, A.E.

Assembly

HPLC-12

Entity

1. HPLC-12 (polymer, Thiol state: not present), 74 monomers, 8100.420 Da Detail

MNQASVVANQ LIPINTALTL VMMRSEVVTP VGIPAEDIPR LVSMQVNRAV PLGTTLMPDM VKGYAALEHH HHHH

Formula weight

8100.42 Da

Source organism

Zoarces americanus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 90.5 %, Completeness: 74.0 %, Completeness (bb): 88.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	74.0 % (618 of 835)	64.7 % (277 of 428)	84.6 % (281 of 332)	80.0 % (60 of 75)
Backbone	88.0 % (380 of 432)	87.6 % (127 of 145)	88.1 % (193 of 219)	88.2 % (60 of 68)
Sidechain	63.9 % (303 of 474)	53.4 % (151 of 283)	82.6 % (152 of 184)	0.0 % (0 of 7)
Aromatic	0.0 % (0 of 32)	0.0 % (0 of 16)	0.0 % (0 of 16)
Methyl	87.0 % (94 of 108)	74.1 % (40 of 54)	100.0 % (54 of 54)

1. type III AFP isoform HPLC-12

MNQASVVANQ LIPINTALTL VMMRSEVVTP VGIPAEDIPR LVSMQVNRAV PLGTTLMPDM VKGYAALEHH HHHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 297 K, pH 7

#	Name	Isotope labeling	Concentration
1	H2O	natural abundance	90 %
2	D2O	natural abundance	10 %
3	sodium phosphate	natural abundance	10 mM
4	type III AFP isoform HPLC-12	[U-100% 13C; U-100% 15N]	1 mg

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	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.13 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	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: -0.13 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	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.03 ppm, Outliers: 1 Detail

LACS Plot; CO

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	internal	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.45 ppm, Outliers: 4 Detail

Release date

2009-02-02

Citation

Solid-state NMR on a type III antifreeze protein in the presence of ice
Siemer, A.B., McDermott, A.E.
J. Am. Chem. Soc. (2008), 130, 17394-17399, PubMed 19053456 , DOI 10.1021/ja8047893 , Abstract

Related entities 1. HPLC-12, : 1 : 22 : 55 entities Detail

Experiments performed 6 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr15817_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: bmr15817_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	691		90.5 (chain: 1, length: 74)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 74, Sequence coverage: 90.5%
- Total number of assignments
  - ¹H chemical shifts: 352
  - ¹³C chemical shifts: 279
  - ¹⁵N chemical shifts: 60
- Completeness of assignments
  - Entity_assemble_ID: 1
- Peptide bond of PRO
- 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	428	272	63.6
¹³C chemical shifts	332	279	84.0
¹⁵N chemical shifts	78	60	76.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	145	130	89.7
¹³C chemical shifts	148	127	85.8
¹⁵N chemical shifts	68	60	88.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	283	142	50.2
¹³C chemical shifts	184	152	82.6
¹⁵N chemical shifts	10	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	60	40	66.7
¹³C chemical shifts	60	54	90.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	16	0	0.0
¹³C chemical shifts	16	0	0.0

Keywords antifreeze proteins, chemical-shift perturbation, frozen solution, solid-state NMR, type III AFP

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Found 1 Document (0.413 seconds)

BMRB: 15817

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. HPLC-12, : 1 : 22 : 55 entities Detail

Experiments performed 6 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail