BMRBj - BMREntryMaster

Found 1 Document (1.385 seconds)

BMRB: 4971

1QGM

NMR data for the Carp Granulin 1 3-30 subfragment

Authors

Vranken, W.F., James, S., Bennett, H.P., Ni, F.

Assembly

Truncated amino-terminal Carp Granulin-1

Entity

1. Truncated amino-terminal Carp Granulin-1 (polymer, Thiol state: all disulfide bound), 28 monomers, 2982.302 Da Detail

HCDAATICPD GTTCSLSPYG VWYCSPFS

Formula weight

2982.302 Da

Entity Connection

disulfide 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS2:SG	1:CYS14:SG
2	disulfide	sing	1:CYS8:SG	1:CYS24:SG

Source organism

Cyprinus carpio

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 74.6 %, Completeness (bb): 78.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C
All	74.6 % (197 of 264)	98.6 % (143 of 145)	45.4 % (54 of 119)
Backbone	78.8 % (108 of 137)	98.2 % (54 of 55)	65.9 % (54 of 82)
Sidechain	75.2 % (115 of 153)	98.9 % (89 of 90)	41.3 % (26 of 63)
Aromatic	48.8 % (20 of 41)	95.2 % (20 of 21)	0.0 % (0 of 20)
Methyl	59.1 % (13 of 22)	100.0 % (11 of 11)	18.2 % (2 of 11)

1. truncated amino-terminal Carp Granulin-1

HCDAATICPD GTTCSLSPYG VWYCSPFS

Show sample condition

Sample #1

Pressure 1 atm, Temperature 288 (±0.2) K, pH 5.0 (±0.3)

#	Name	Concentration
1	truncated amino-terminal Carp Granulin-1	2.0 mM
2	H2O	90 %
3	D2O	10 %

Sample #2

Pressure 1 atm, Temperature 288 (±0.2) K, pH 5.0 (±0.3)

#	Name	Isotope labeling	Type	Concentration
4	truncated amino-terminal Carp Granulin-1			2.0 mM
5	D2O			100 %

Release date

2001-03-13

Citation

Solution structures of a 30-residue amino-terminal domain of the carp granulin-1 protein and its amino-terminally truncated 3-30 subfragment: implications for the conformational stability of the stack of two beta-hairpins
Vranken, W.F., James, S., Bennett, H.P., Ni, F.
Proteins (2002), 47, 14-24, PubMed 11870861 , DOI: , Abstract

Entries sharing articles Swiss-Prot: 1 entries Detail

Swiss-Prot: P81013 released on 1997-11-01
Title GRN1_CYPCA Entity Granulin-1

Related entities 1. Truncated amino-terminal Carp Granulin-1, : 1 : 2 : 1 : 45 entities Detail

Experiments performed 2 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4971_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:2:CYS:SG	1:14:CYS:SG	oxidized, CA 54.127, CB 42.402 ppm	oxidized, CA 56.5, CB 40.7 ppm	n/a
1:8:CYS:SG	1:24:CYS:SG	oxidized, CA 52.3, CB 36.3 ppm	oxidized, CA 53.3, CB 37.8 ppm	n/a

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr4971_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chemical_shift_set_1	Warning	220		100.0 (chain: 1, length: 28)
1	Chemical shift references	chemical_shift_reference	OK	2		No information

Assigned chemical shifts

Saveframe: chemical_shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 28, Sequence coverage: 100.0%
- Total number of assignments
  - ¹³C chemical shifts: 54
  - ¹H chemical shifts: 166
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- 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)
17	SER	HG	5.98

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	119	54	45.4
¹H chemical shifts	145	143	98.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	56	28	50.0
¹H chemical shifts	55	54	98.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	63	26	41.3
¹H chemical shifts	90	89	98.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	11	2	18.2
¹H chemical shifts	11	11	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	20	0	0.0
¹H chemical shifts	21	20	95.2

Keywords beta-hairpin stack, conformational stability

Search

Query history

Resources

Search for primary databases

Search for subsidiary databases

Display

Hits per page

Statistics

Query Changes will take effect after "OK" button is selected.

Maximum hits

Default conjunction operator

Omni-box

Search filter

Sequence search (BLAST)

E-value

Query sequence coverage

Miscellaneous

The number of previewed publications

Completeness of assigned chemical shift

Sequence chart about top aligned regions

Sequence chart about interacting regions

Hit context with highlight

Link destinations for BMRB, PDB and EMDB

Found 1 Document (1.385 seconds)

BMRB: 4971

Sample #1

Sample #2

Entries sharing articles Swiss-Prot: 1 entries Detail

Related entities 1. Truncated amino-terminal Carp Granulin-1, : 1 : 2 : 1 : 45 entities Detail

Experiments performed 2 experiments Detail

Instrument

Sample #1

Sample #2

Instrument

Sample #1

Sample #2

Chemical shift validation 3 contents Detail