BMRBj - BMREntryMaster

	Total	¹H
All	73.1 % (68 of 93)	73.1 % (68 of 93)
Backbone	88.9 % (24 of 27)	88.9 % (24 of 27)
Sidechain	66.7 % (44 of 66)	66.7 % (44 of 66)
Aromatic	60.0 % (15 of 25)	60.0 % (15 of 25)
Methyl	100.0 % (2 of 2)	100.0 % (2 of 2)

1. M cono-toxin

DWEYHAHPKX NSFWT

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 300 K, pH 3

#	Name	Isotope labeling	Concentration
1	M cono-toxin mr12 mutant	natural abundance	2.0 mM
2	H2O	natural abundance	90 %
3	D2O		10 %

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 300 K, pH 3

#	Name	Isotope labeling	Type	Concentration
4	M cono-toxin mr12 mutant	natural abundance		2.0 mM
5	D2O			100 %

Protein Blocks Logo

Calculated from 20 models in PDB: 2JQC, Strand ID: A Detail

Release date

2008-06-11

Citation

Purification and structural characterization of a D-amino acid-containing conopeptide, conomarphin, from Conus marmoreus
Han, Y., Huang, F., Jiang, H., Liu, L., Wang, Q., Wang, Y., Shao, X., Chi, C., Du, W., Wang, C.
FEBS J. (2008), 275, 1976-1987, PubMed 18355315 , DOI 10.1111/j.1742-4658.2008.06352.x , Abstract

Entries sharing articles BMRB: 3, Swiss-Prot: 1 entries Detail

  BMRB: 15363 released on 2008-06-24
    Title A D-amino acid containing conopeptide, marmophine, from Conus marmoreus
  BMRB: 7397 released on 2008-06-16
    Title Purification and structural characterization of a D-amino acid containing conopeptide, marmophine, from Conus marmoreus
  BMRB: 15272 released on 2008-06-11
    Title The NMR solution structure of a pH sensitive,D-amino acid containing conopeptide, mr12 .
  Swiss-Prot: B2KPN7 released on 2009-03-03
    Title COMA_CONMR Entity Conomarphin

Related entities 1. conopeptide mr12 mutant, : 1 : 3 entities Detail

Experiments performed 6 experiments Detail

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_15273_2jqc.nef
Input source #2: Coordindates	2jqc.cif
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	None
Whether the assembly has a other bond	True (see coodinates for details)
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)

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:9:LYS:C	1:10:HYP:N	unknown	unknown	n/a
1:10:HYP:C	1:11:ASN:N	unknown	unknown	n/a

Non-standard residues

Chain_ID	Seq_ID	Comp_ID	Chem_comp_name	Experimental evidences
A	10	HYP	4-HYDROXYPROLINE	Assigned chemical shifts, Distance restraints, Torsion angle restraints, Coordinates

Sequence alignments

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

--------10-----
DWEYHAHPKXNSFWT
|||||||||||||||
DWEYHAHPKXNSFWT

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	15	0	0	100.0

Content subtype: combined_15273_2jqc.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Covalent bonds	assembly	OK	2		No information
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	76		100.0 (chain: A, length: 15)
1	Distance restraints	DYANA/DIANA_distance_constraints_2	Warning	176 (1)	noe	100.0 (chain: A, length: 15)
2	Distance restraints	DYANA/DIANA_distance_constraints_3	Warning	4 (1)	hbond	26.7 (chain: A, length: 15)
1	Dihedral angle restraints	DYANA/DIANA_dihedral_4	OK	6 (6)	.	80.0 (chain: A, length: 15)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 15, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 76
- Completeness of assignments
  - Entity_assemble_ID: A
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: A

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	99	73	73.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	28	27	96.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	71	46	64.8

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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	25	15	60.0

Covalent bonds

Saveframe: assembly
- Status: OK

Distance restraints

Saveframe: DYANA/DIANA_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 15, Sequence coverage: 100.0%
- Total number of restraints: 175
- Weight of restraints: 1.0 (175)
- Potential type of restraints: upper-bound-parabolic (175)
- Range of distance target values: 2.4, 8.65 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: DYANA/DIANA_distance_constraints_3
  - Status: Warning
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 15, Sequence coverage: 26.7%
  - Total number of restraints: 4
  - Weight of restraints: 1.0 (4)
  - Potential type of restraints: upper-bound-parabolic (4)
  - Range of distance target values: 2.2, 3.2 (Å)
  - Histogram of distance target values
  - Histogram of discrepancy in distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: DYANA/DIANA_dihedral_4
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 15, Sequence coverage: 80.0%
- Total number of restraints: 6
- Total number of restraints per polymer type: 6
- Weight of restraints: 1.0 (6)
- Potential type of restraints: square-well-parabolic (6)
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords M conotoxin, mr12 mutant, NMR, M cono-toxin, mr12, NMR solution structure

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BMRB: 15273

Sample #1

Sample #2

Entries sharing articles BMRB: 3, Swiss-Prot: 1 entries Detail

Related entities 1. conopeptide mr12 mutant, : 1 : 3 entities Detail

Experiments performed 6 experiments Detail

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NMR combined restraints 5 contents Detail