BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	84.4 % (1027 of 1217)	90.5 % (578 of 639)	73.8 % (347 of 470)	94.4 % (102 of 108)
Backbone	79.7 % (483 of 606)	92.3 % (191 of 207)	66.6 % (201 of 302)	93.8 % (91 of 97)
Sidechain	89.8 % (635 of 707)	89.6 % (387 of 432)	89.8 % (237 of 264)	100.0 % (11 of 11)
Aromatic	71.4 % (80 of 112)	71.4 % (40 of 56)	70.4 % (38 of 54)	100.0 % (2 of 2)
Methyl	98.9 % (89 of 90)	97.8 % (44 of 45)	100.0 % (45 of 45)

1. Neural cell adhesion molecule 1

MQPVREPSAP KLEGQMGEDG NSIKVNLIKQ DDGGSPIRHY LVRYRALSSE WKPEIRLPSG SDHVMLKSLD WNAEYEVYVV AENQQGKSKA AHFVFRTHHH HHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45, Details 0.9 mM [U-99% 13C; U-99% 15N] fibronectin type III domain 2, 20 mM TBS, 150 mM sodium chloride, 10 % [U-2H] D2O, 90 % H2O, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	fibronectin type III domain 2	[U-99% 13C; U-99% 15N]	0.9 mM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	TBS	natural abundance	20 mM
5	sodium chloride	natural abundance	150 mM

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbons	external	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	nitrogen	external	indirect	0.1013291

Referencing offset: 0.12 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbons	external	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	nitrogen	external	indirect	0.1013291

Referencing offset: 0.12 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹³C	DSS	methyl carbons	external	indirect	0.2514495
¹H	DSS	methyl protons	internal	direct	1.0
¹⁵N	DSS	nitrogen	external	indirect	0.1013291

Referencing offset: 0.08 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 5LKN, Strand ID: A Detail

Release date

2016-09-08

Citation

The N Terminus of the Prion Protein Mediates Functional Interactions with the Neuronal Cell Adhesion Molecule (NCAM) Fibronectin Domain
Slapsak, U., Salzano, G., Amin, L., Abskharon, R.N.N., Ilc, G., Zupancic, B., Biljan, I., Plavec, J., Giachin, G., Legname, G.
J. Biol. Chem. (2016), 291, 21857-21868, PubMed 27535221 , DOI 10.1074/jbc.M116.743435 , Abstract

Related entities 1. Neural cell adhesion molecule 1, : 1 : 104 entities Detail

Interaction partners 1. Neural cell adhesion molecule 1, : 4 interactors Detail

More details for 4 interactors identified by 3 citations

Experiments performed 14 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian VNMRS - 800 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.45, Details 0.9 mM [U-99% 13C; U-99% 15N] fibronectin type III domain 2, 20 mM TBS, 150 mM sodium chloride, 10 % [U-2H] D2O, 90 % H2O, 90% H2O/10% D2O

#	Name	Isotope labeling	Concentration
1	fibronectin type III domain 2	[U-99% 13C; U-99% 15N]	0.9 mM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	TBS	natural abundance	20 mM
5	sodium chloride	natural abundance	150 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Varian VNMRS - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	fibronectin type III domain 2	[U-99% 13C; U-99% 15N]	0.9 mM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	TBS	natural abundance	20 mM
5	sodium chloride	natural abundance	150 mM

3 2D 1H-13C HSQC aromatic

Instrument

Varian VNMRS - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	fibronectin type III domain 2	[U-99% 13C; U-99% 15N]	0.9 mM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	TBS	natural abundance	20 mM
5	sodium chloride	natural abundance	150 mM

4 3D HNCO

Instrument

Varian VNMRS - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	fibronectin type III domain 2	[U-99% 13C; U-99% 15N]	0.9 mM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	TBS	natural abundance	20 mM
5	sodium chloride	natural abundance	150 mM

5 3D HN(CO)CA

Instrument

Varian VNMRS - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	fibronectin type III domain 2	[U-99% 13C; U-99% 15N]	0.9 mM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	TBS	natural abundance	20 mM
5	sodium chloride	natural abundance	150 mM

6 3D 1H-15N NOESY

Instrument

Varian VNMRS - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	fibronectin type III domain 2	[U-99% 13C; U-99% 15N]	0.9 mM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	TBS	natural abundance	20 mM
5	sodium chloride	natural abundance	150 mM

7 3D (H)CCH-TOCSY

Instrument

Varian VNMRS - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	fibronectin type III domain 2	[U-99% 13C; U-99% 15N]	0.9 mM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	TBS	natural abundance	20 mM
5	sodium chloride	natural abundance	150 mM

8 3D CC(CO)NH

Instrument

Varian VNMRS - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	fibronectin type III domain 2	[U-99% 13C; U-99% 15N]	0.9 mM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	TBS	natural abundance	20 mM
5	sodium chloride	natural abundance	150 mM

9 3D HBHA(CO)NH

Instrument

Varian VNMRS - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	fibronectin type III domain 2	[U-99% 13C; U-99% 15N]	0.9 mM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	TBS	natural abundance	20 mM
5	sodium chloride	natural abundance	150 mM

10 3D HNCACB

Instrument

Varian VNMRS - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	fibronectin type III domain 2	[U-99% 13C; U-99% 15N]	0.9 mM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	TBS	natural abundance	20 mM
5	sodium chloride	natural abundance	150 mM

11 3D CBCA(CO)NH

Instrument

Varian VNMRS - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	fibronectin type III domain 2	[U-99% 13C; U-99% 15N]	0.9 mM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	TBS	natural abundance	20 mM
5	sodium chloride	natural abundance	150 mM

12 3D HNCA

Instrument

Varian VNMRS - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	fibronectin type III domain 2	[U-99% 13C; U-99% 15N]	0.9 mM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	TBS	natural abundance	20 mM
5	sodium chloride	natural abundance	150 mM

13 3D 1H-13C NOESY aromatic

Instrument

Varian VNMRS - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	fibronectin type III domain 2	[U-99% 13C; U-99% 15N]	0.9 mM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	TBS	natural abundance	20 mM
5	sodium chloride	natural abundance	150 mM

14 3D 1H-13C NOESY aliphatic

Instrument

Varian VNMRS - 800 MHz

Sample

#	Name	Isotope labeling	Concentration
1	fibronectin type III domain 2	[U-99% 13C; U-99% 15N]	0.9 mM
2	D2O	[U-2H]	10 %
3	H2O	natural abundance	90 %
4	TBS	natural abundance	20 mM
5	sodium chloride	natural abundance	150 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_34026_5lkn.nef
Input source #2: Coordindates	5lkn.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

---600-------610-------620-------630-------640-------650-------660-------670-------680-------690----
MQPVREPSAPKLEGQMGEDGNSIKVNLIKQDDGGSPIRHYLVRYRALSSEWKPEIRLPSGSDHVMLKSLDWNAEYEVYVVAENQQGKSKAAHFVFRTHHH
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MQPVREPSAPKLEGQMGEDGNSIKVNLIKQDDGGSPIRHYLVRYRALSSEWKPEIRLPSGSDHVMLKSLDWNAEYEVYVVAENQQGKSKAAHFVFRTHHH
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

---
HHH
|||
HHH
---

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	103	0	0	100.0

Content subtype: combined_34026_5lkn.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_1	Warning	1012		95.1 (chain: A, length: 103)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	1874 (1)	noe	95.1 (chain: A, length: 103)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	136 (136)	.	91.3 (chain: A, length: 103)

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 103, Sequence coverage: 95.1%
- Total number of assignments
  - ¹H chemical shifts: 580
  - ¹³C chemical shifts: 331
  - ¹⁵N chemical shifts: 101
- Completeness of assignments
  - Entity_assemble_ID: A
- Peptide bond of PRO
- Tautomeric state of HIS
- Rotameric state of ILE , LEU, and VAL
- 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	639	580	90.8
¹³C chemical shifts	470	331	70.4
¹⁵N chemical shifts	114	101	88.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	207	192	92.8
¹³C chemical shifts	206	95	46.1
¹⁵N chemical shifts	97	90	92.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	432	388	89.8
¹³C chemical shifts	264	236	89.4
¹⁵N chemical shifts	17	11	64.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	48	47	97.9
¹³C chemical shifts	48	47	97.9

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	56	40	71.4
¹³C chemical shifts	54	38	70.4
¹⁵N chemical shifts	2	2	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 103, Sequence coverage: 95.1%
- Total number of restraints: 1865
- Weight of restraints: 1.0 (1865)
- Potential type of restraints: square-well-parabolic (1865)
- Range of distance target values: 1.03, 3.0 (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: CNS/XPLOR_dihedral_3
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 103, Sequence coverage: 91.3%
- Total number of restraints: 136
- Total number of restraints per polymer type: 136
- Weight of restraints: 1.0 (136)
- Potential type of restraints: square-well-parabolic (136)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords cell adhesion, fibronectin type III domain, protein interactions

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Found 1 Document (0.994 seconds)

BMRB: 34026

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Neural cell adhesion molecule 1, : 1 : 104 entities Detail

Interaction partners 1. Neural cell adhesion molecule 1, : 4 interactors Detail

Experiments performed 14 experiments Detail

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NMR combined restraints 4 contents Detail