BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	88.4 % (641 of 725)	95.3 % (361 of 379)	77.0 % (218 of 283)	98.4 % (62 of 63)
Backbone	81.5 % (290 of 356)	95.0 % (113 of 119)	67.4 % (122 of 181)	98.2 % (55 of 56)
Sidechain	95.6 % (409 of 428)	95.4 % (248 of 260)	95.7 % (154 of 161)	100.0 % (7 of 7)
Aromatic	85.7 % (24 of 28)	100.0 % (14 of 14)	69.2 % (9 of 13)	100.0 % (1 of 1)
Methyl	100.0 % (86 of 86)	100.0 % (43 of 43)	100.0 % (43 of 43)

1. Uncharacterized BCR

MSLDPQLLEV LACPKDKGPL RYLESEQLLV NERLNLAYRI DDGIPVLLID EATEWTPNNL E

Show sample condition

Sample #1

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
1	Uncharacterized BCR	[U-100% 13C; U-100% 15N]	1.0 mM
2	H2O	natural abundance	95 %
3	D2O	natural abundance	5 %
4	NaN3	natural abundance	5 %
5	DTT	natural abundance	100 mM
6	CaCl2	natural abundance	5 mM
7	NaCl	natural abundance	100 mM
8	MES	natural abundance	20 mM

Sample #2

Pressure 1 atm, Temperature 298 K, pH 6.5

#	Name	Isotope labeling	Concentration
9	Uncharacterized BCR	[U-5% 13C; U-100% 15N]	1.0 mM
10	H2O	natural abundance	95 %
11	D2O	natural abundance	5 %
12	NaN3	natural abundance	5 %
13	DTT	natural abundance	100 mM
14	CaCl2	natural abundance	5 mM
15	NaCl	natural abundance	100 mM
16	MES	natural abundance	20 mM

LACS Plot; CA

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

Referencing offset: 0.39 ppm, Outliers: 3 Detail

LACS Plot; CB

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

Referencing offset: 0.39 ppm, Outliers: 3 Detail

LACS Plot; HA

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

Referencing offset: -0.05 ppm, Outliers: 1 Detail

Protein Blocks Logo

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

Release date

2007-03-26

Citation

Solution NMR structure of protein Uncharacterized BCR, Northeast Structural Genomics Consortium target CgR1
Wu, Y., Liu, G., Zhang, Q., Chen, C., Nwosu, C., Cunningham, K., Ma, L., Xiao, R., Liu, J., Baran, M., Swapna, G., Rost, B., Montelione, G., Szyperski, T.

Related entities 1. Uncharacterized BCR, : 1 : 111 entities Detail

Experiments performed 5 experiments Detail

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_15133_2jny.nef
Input source #2: Coordindates	2jny.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--------50--------60-------
MSLDPQLLEVLACPKDKGPLRYLESEQLLVNERLNLAYRIDDGIPVLLIDEATEWTPNNLEHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MSLDPQLLEVLACPKDKGPLRYLESEQLLVNERLNLAYRIDDGIPVLLIDEATEWTPNNLEHHHHHH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	67	0	0	100.0

Content subtype: combined_15133_2jny.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	650		91.0 (chain: A, length: 67)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	1061 (1)	noe	89.6 (chain: A, length: 67)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	116 (116)	.	83.6 (chain: A, length: 67)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 67, Sequence coverage: 91.0%
- Total number of assignments
  - ¹H chemical shifts: 373
  - ¹³C chemical shifts: 214
  - ¹⁵N chemical shifts: 63
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- Peptide bond of PRO
- 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	415	373	89.9
¹³C chemical shifts	313	214	68.4
¹⁵N chemical shifts	72	63	87.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	131	117	89.3
¹³C chemical shifts	134	60	44.8
¹⁵N chemical shifts	62	55	88.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	284	256	90.1
¹³C chemical shifts	179	154	86.0
¹⁵N chemical shifts	10	8	80.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	44	43	97.7
¹³C chemical shifts	44	43	97.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	26	14	53.8
¹³C chemical shifts	25	9	36.0
¹⁵N chemical shifts	1	1	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: 67, Sequence coverage: 89.6%
- Total number of restraints: 1061
- Weight of restraints: 1.0 (1061)
- Potential type of restraints: square-well-parabolic (1061)
- Range of distance target values: 2.12, 5.42 (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: 67, Sequence coverage: 83.6%
- Total number of restraints: 116
- Total number of restraints per polymer type: 116
- Weight of restraints: 1.0 (116)
- Potential type of restraints: square-well-parabolic (116)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

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BMRB: 15133

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Uncharacterized BCR, : 1 : 111 entities Detail

Experiments performed 5 experiments Detail

Instrument

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Sample

Instrument

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Instrument

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NMR combined restraints 4 contents Detail