BMRBj - BMREntryMaster

Found 1 Document (0.269 seconds) for PDB ID: 1015

BMRB: 21015

solution structure of conotoxin pu14a

Authors

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

Assembly

conotoxin pu14a

Entity

1. conotoxin pu14a (polymer, Thiol state: all disulfide bound), 19 monomers, 2065.524 Da Detail

DCPPHPVPGM HKCVCLKTC

Formula weight

2065.524 Da

Entity Connection

disulfide 2 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS2:SG	1:CYS15:SG
2	disulfide	sing	1:CYS13:SG	1:CYS19:SG

Source organism

Conus pulicarius

Exptl. method

solution NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 97.3 %, Completeness (bb): 94.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H
All	97.3 % (108 of 111)	97.3 % (108 of 111)
Backbone	94.3 % (33 of 35)	94.3 % (33 of 35)
Sidechain	98.7 % (75 of 76)	98.7 % (75 of 76)
Aromatic	100.0 % (4 of 4)	100.0 % (4 of 4)
Methyl	85.7 % (6 of 7)	85.7 % (6 of 7)

1. conotoxin pu14a

DCPPHPVPGM HKCVCLKTC

Show sample condition

Sample #1

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

#	Name	Isotope labeling	Type	Concentration
1	conotoxin pu14a	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 pu14a	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: 21014 released on 2011-11-06
Title solution structure of conotoxin lt14a

Related entities 1. conotoxin pu14a, : 1 : 1 entities Detail

Experiments performed 4 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr21015_3.str
Input source #2: Coordindates	bmr21015.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	OK

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:2:CYS:SG	1:15:CYS:SG	unknown	unknown	1.977
1:13:CYS:SG	1:19:CYS:SG	unknown	unknown	1.967

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---------
DCPPHPVPGMHKCVCLKTC
|||||||||||||||||||
DCPPHPVPGMHKCVCLKTC

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
1	A	19	0	0	100.0

Content subtype: bmr21015_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	OK	122		100.0 (chain: 1, length: 19)
1	Chemical shift references	chemical_shift_reference_1	OK	1		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 19, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 122
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	111	108	97.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	35	33	94.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	76	75	98.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	8	7	87.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	4	4	100.0

Keywords pu14a

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Found 1 Document (0.269 seconds) for PDB ID: 1015

BMRB: 21015

Sample #1

Sample #2

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. conotoxin pu14a, : 1 : 1 entities Detail

Experiments performed 4 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail