BMRBj - BMREntryMaster

	Total	¹H	¹⁵N
All	88.3 % (273 of 309)	87.4 % (228 of 261)	93.8 % (45 of 48)
Backbone	91.4 % (139 of 152)	90.4 % (94 of 104)	93.8 % (45 of 48)
Sidechain	85.4 % (134 of 157)	85.4 % (134 of 157)
Aromatic	0.0 % (0 of 2)	0.0 % (0 of 2)
Methyl	97.1 % (33 of 34)	97.1 % (33 of 34)

1. entity

SSLLEKGLDG AKKAVGGLGK LGKDAVEDLE SVGKGAVHDV KDVLDSVL

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Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 7

#	Name	Isotope labeling	Type	Concentration
1	entity	[U-100% 13C; U-100% 15N]		1 mM

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

Release date

2016-08-15

Citation

Structural basis for the bacterial membrane insertion of dermcidin peptide, DCD-1L
Nguyen, V.S., Tan, K.W., Ramesh, K., Chew, F.T., Mok, Y.K.
Sci. Rep. (2017), 7, 13923-13923, PubMed 29066724 , DOI 10.1038/s41598-017-13600-z , Abstract

Related entities 1. dermcidin peptide DCD-1L, : 1 : 5 : 2 entities Detail

Interaction partners 1. dermcidin peptide DCD-1L, : 34 interactors Detail

More details for 34 interactors identified by 15 citations

Experiments performed 6 experiments Detail

NMR combined restraints 3 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Dihedral angle restraints	combined_26063_2ndk.nef
Input source #2: Coordindates	2ndk.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	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

Sequence alignments

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

--------10--------20--------30--------40--------
SSLLEKGLDGAKKAVGGLGKLGKDAVEDLESVGKGAVHDVKDVLDSVL
||||||||||||||||||||||||||||||||||||||||||||||||
SSLLEKGLDGAKKAVGGLGKLGKDAVEDLESVGKGAVHDVKDVLDSVL

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	48	0	0	100.0

Content subtype: combined_26063_2ndk.nef

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	292		100.0 (chain: A, length: 48)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	86 (86)	.	97.9 (chain: A, length: 48)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 48, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 247
  - ¹⁵N chemical shifts: 45
- 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	261	247	94.6
¹⁵N chemical shifts	48	45	93.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	104	101	97.1
¹⁵N chemical shifts	48	45	93.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	157	146	93.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	34	34	100.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	2	0	0.0

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 48, Sequence coverage: 97.9%
- Total number of restraints: 86
- Total number of restraints per polymer type: 86
- Weight of restraints: 1.0 (86)
- Potential type of restraints: square-well-parabolic (86)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords DCD1L, Dermcidin, NMR solution, antimicrobial

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Found 1 Document (2.234 seconds)

BMRB: 26063

Sample

Related entities 1. dermcidin peptide DCD-1L, : 1 : 5 : 2 entities Detail

Interaction partners 1. dermcidin peptide DCD-1L, : 34 interactors Detail

Experiments performed 6 experiments Detail

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NMR combined restraints 3 contents Detail