BMRBj - BMREntryMaster

Found 1 Document (0.275 seconds) for PDB ID: 1014

BMRB: 21014

solution structure of conotoxin lt14a

Authors

Zhang, B., Huang, F., Du, W.

Assembly

conotoxin lt14a

Entity

1. conotoxin lt14a (polymer, Thiol state: all disulfide bound), 14 monomers, 1394.747 Da Detail

MCPPLCKPSC TNCX

Formula weight

1394.747 Da

Entity Connection

disulfide 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS2:SG	1:CYS10:SG
2	disulfide	sing	1:CYS6:SG	1:CYS13:SG

Source organism

Conus litteratus

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 92.9 %, Completeness: 90.7 %, Completeness (bb): 95.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	90.7 % (68 of 75)	90.7 % (68 of 75)
Backbone	95.7 % (22 of 23)	95.7 % (22 of 23)
Sidechain	88.5 % (46 of 52)	88.5 % (46 of 52)
Methyl	100.0 % (3 of 3)	100.0 % (3 of 3)

1. conotoxin lt14a

MCPPLCKPSC TNCX

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Temperature 283 K, pH 3.0

#	Name	Isotope labeling	Type	Concentration
1	conotoxin lt14a	natural abundance	protein	4 mM
2	TFA	natural abundance		0.01 %
3	H2O	natural abundance	solvent	90 %
4	D2O	natural abundance	solvent	10 %

Sample #2

Solvent system 100% D2O, Temperature 283 K, pH 3.0

#	Name	Isotope labeling	Type	Concentration
5	conotoxin lt14a	natural abundance	protein	4 mM
6	TFA	natural abundance		0.01 %
7	D2O	natural abundance	solvent	100 %

Release date

2011-11-06

Citation

Solution structure of a novel α-conotoxin with a distinctive loop spacing pattern
Zhang, B., Huang, F., Du, W.
Amino Acids (2012), 43, 389-396, PubMed 21968500 , DOI 10.1007/s00726-011-1093-x , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 21015 released on 2011-11-06
Title solution structure of conotoxin pu14a

Related entities 1. conotoxin lt14a, : 1 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr21014_3.str
Input source #2: Coordindates	bmr21014.coor.cif
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	1:10:CYS:SG	unknown	unknown	2.105
1:6:CYS:SG	1:13:CYS:SG	unknown	unknown	1.999

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

None

Non-standard residues

None

Sequence alignments

Entity_assembly_ID (NMR): 1 vs Auth_asym_ID (model): A

--------10----
MCPPLCKPSCTNCX
||||||||||||||
MCPPLCKPSCTNCX

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
1	A	14	0	0	100.0

Content subtype: bmr21014_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	77		92.9 (chain: 1, length: 14)
1	Chemical shift references	chemical_shift_reference_1	OK	1		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 14, Sequence coverage: 92.9%
- Total number of assignments
  - ¹H chemical shifts: 77
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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)
7	LYS	HZ1	7.547
7	LYS	HZ2	7.547
7	LYS	HZ3	7.547

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	77	68	88.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	23	22	95.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	54	46	85.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	4	3	75.0

Keywords lt14a

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Found 1 Document (0.275 seconds) for PDB ID: 1014

BMRB: 21014

Sample #1

Sample #2

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. conotoxin lt14a, : 1 entities Detail

Experiments performed 4 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail