BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	39.7 % (206 of 519)	18.4 % (49 of 266)	55.9 % (119 of 213)	95.0 % (38 of 40)
Backbone	77.2 % (193 of 250)	45.9 % (39 of 85)	92.1 % (116 of 126)	97.4 % (38 of 39)
Sidechain	16.8 % (52 of 309)	5.5 % (10 of 181)	33.1 % (42 of 127)	0.0 % (0 of 1)
Aromatic	0.0 % (0 of 26)	0.0 % (0 of 13)	0.0 % (0 of 12)	0.0 % (0 of 1)
Methyl	11.9 % (10 of 84)	9.5 % (4 of 42)	14.3 % (6 of 42)

1. Integrin beta3

PESPKGPDIL VVLLSVMGAI LLIGLAPLLI WALLITIHDR KEF

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Sample

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 308.2 K, pH 7.4

#	Name	Isotope labeling	Concentration
1	entity	[U-100% 13C; U-100% 15N; U-80% 2H]	0.5 mM
2	DHPC	natural abundance	350 mM
3	POPC	natural abundance	105 mM
4	HEPES	natural abundance	25 mM
5	H2O	natural abundance	95 %
6	D2O	natural abundance	5 %

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Calculated from 21 models in PDB: 2L91, Strand ID: A Detail

Release date

2011-12-19

Citation

Basic amino-acid side chains regulate transmembrane integrin signalling
Kim, C., Schmidt, T., Cho, E., Ye, F., Ulmer, T.S., Ginsberg, M.H.
Nature (2011), 481, 209-213, PubMed 22178926 , DOI 10.1038/nature10697 , Abstract

Related entities 1. Integrin beta3, : 1 : 10 : 50 entities Detail

Interaction partners 1. Integrin beta3, : 5 interactors Detail

More details for 5 interactors identified by 5 citations

Experiments performed 4 experiments Detail

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_17433_2l91.nef
Input source #2: Coordindates	2l91.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

---690-------700-------710-------720-------
PESPKGPDILVVLLSVMGAILLIGLAPLLIWALLITIHDRKEF
|||||||||||||||||||||||||||||||||||||||||||
PESPKGPDILVVLLSVMGAILLIGLAPLLIWALLITIHDRKEF
--------10--------20--------30--------40---

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	43	0	0	100.0

Content subtype: combined_17433_2l91.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	OK	194		97.7 (chain: A, length: 43)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	43 (1)	noe	62.8 (chain: A, length: 43)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	Warning	3 (1)	hbond	14.0 (chain: A, length: 43)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_5	OK	70 (70)	.	81.4 (chain: A, length: 43)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 43, Sequence coverage: 97.7%
- Total number of assignments
  - ¹³C chemical shifts: 118
  - ¹H chemical shifts: 38
  - ¹⁵N chemical shifts: 38
- Completeness of assignments
  - Entity_assemble_ID: A
- Peptide bond of PRO
- 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 (%)
¹³C chemical shifts	213	118	55.4
¹H chemical shifts	266	38	14.3
¹⁵N chemical shifts	41	38	92.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	86	80	93.0
¹H chemical shifts	85	38	44.7
¹⁵N chemical shifts	39	38	97.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	127	38	29.9
¹H chemical shifts	181	0	0.0
¹⁵N chemical shifts	2	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	43	3	7.0
¹H chemical shifts	43	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	12	0	0.0
¹H chemical shifts	13	0	0.0
¹⁵N chemical shifts	1	0	0.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_3
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 43, Sequence coverage: 62.8%
- Total number of restraints: 43
- Weight of restraints: 1.0 (43)
- Potential type of restraints: square-well-parabolic (43)
- Range of distance target values: 2.35, 3.9 (Å)
- Histogram of distance target values
- Distance restraints per residue
  - Chain_ID: A
- Distance restraints on contact map
- Saveframe: CNS/XPLOR_distance_constraints_4
  - Status: Warning
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 43, Sequence coverage: 14.0%
  - Total number of restraints: 3
  - Weight of restraints: 1.0 (3)
  - Potential type of restraints: square-well-parabolic (3)
  - Range of distance target values: 2.0, 2.0 (Å)
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_5
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 43, Sequence coverage: 81.4%
- Total number of restraints: 70
- Total number of restraints per polymer type: 70
- Weight of restraints: 1.0 (70)
- Potential type of restraints: square-well-parabolic (70)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords integrin, transmembrane segment

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Found 1 Document (1.058 seconds)

BMRB: 17433

Sample

Related entities 1. Integrin beta3, : 1 : 10 : 50 entities Detail

Interaction partners 1. Integrin beta3, : 5 interactors Detail

Experiments performed 4 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

NMR combined restraints 5 contents Detail