BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	94.6 % (1279 of 1352)	93.9 % (645 of 687)	97.0 % (514 of 530)	88.9 % (120 of 135)
Backbone	97.4 % (717 of 736)	96.0 % (243 of 253)	98.9 % (359 of 363)	95.8 % (115 of 120)
Sidechain	92.6 % (677 of 731)	92.6 % (402 of 434)	95.7 % (270 of 282)	33.3 % (5 of 15)
Aromatic	85.1 % (63 of 74)	94.6 % (35 of 37)	75.0 % (27 of 36)	100.0 % (1 of 1)
Methyl	99.4 % (167 of 168)	100.0 % (84 of 84)	98.8 % (83 of 84)

1. TL-domain

GSTATGITVS GAQSFKPVAW QLDNDGNKVN VDNRFATVTL SATTGMKRGD KISFAGVKFL GQMAKNVLAQ DATFSVVRVV DGTHVEITPK PVALDDVSLS PEQRAYANVN TSLADAMAVN ILNV

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
1	TL-domain	[U-13C; U-15N]	1.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	0.2 % w/v

Sample #2

Solvent system 99.8% D2O/0.2% H2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
4	TL-domain	[U-13C; U-15N]	1.5 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	0.2 % w/v

Sample #3

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
7	TL-domain	[U-15N]	1.5 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium azide	natural abundance	0.2 % w/v

Sample #4

Solvent system 99.8% D2O/0.2% H2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
10	TL-domain	natural abundance	1.5 mM
11	sodium phosphate	natural abundance	20 mM
12	sodium azide	natural abundance	0.2 % w/v

LACS Plot; CA

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

Referencing offset: -0.13 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: -0.13 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: 0.0 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.55 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 30 models in PDB: 2M5S, Strand ID: A Detail

Release date

2012-07-02

Citation

NMR assignments for the telokin-like domain of bacteriophage P22 coat protein
Rizzo, A.A., Fraser, L.C.R., Sheftic, S.R., Suhanovsky, M.M., Teschke, C.M., Alexandrescu, A.T.
Biomol. NMR Assign. (2013), 7, 257-260, PubMed 22987227 , DOI 10.1007/s12104-012-9422-x , Abstract

Related entities 1. TL-domain, : 1 : 6 : 1 entities Detail

Interaction partners 1. TL-domain, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 18 experiments Detail

1 2D 1H-15N HSQC

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
7	TL-domain	[U-15N]	1.5 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium azide	natural abundance	0.2 % w/v

2 2D 1H-13C HSQC

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 99.8% D2O/0.2% H2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
4	TL-domain	[U-13C; U-15N]	1.5 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	0.2 % w/v

3 2D DQF-COSY

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 99.8% D2O/0.2% H2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
10	TL-domain	natural abundance	1.5 mM
11	sodium phosphate	natural abundance	20 mM
12	sodium azide	natural abundance	0.2 % w/v

4 2D DQF-TOCSY

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 99.8% D2O/0.2% H2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
10	TL-domain	natural abundance	1.5 mM
11	sodium phosphate	natural abundance	20 mM
12	sodium azide	natural abundance	0.2 % w/v

5 3D C(CO)NH

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
1	TL-domain	[U-13C; U-15N]	1.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	0.2 % w/v

6 3D HNCO

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
1	TL-domain	[U-13C; U-15N]	1.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	0.2 % w/v

7 3D HNCA

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
1	TL-domain	[U-13C; U-15N]	1.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	0.2 % w/v

8 3D HNCACB

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
1	TL-domain	[U-13C; U-15N]	1.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	0.2 % w/v

9 3D HN(CO)CA

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
1	TL-domain	[U-13C; U-15N]	1.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	0.2 % w/v

10 3D H(CCO)NH

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
1	TL-domain	[U-13C; U-15N]	1.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	0.2 % w/v

11 3D HCCH-TOCSY

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 99.8% D2O/0.2% H2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
4	TL-domain	[U-13C; U-15N]	1.5 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	0.2 % w/v

12 3D HNHA

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
7	TL-domain	[U-15N]	1.5 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium azide	natural abundance	0.2 % w/v

13 3D 1H-15N NOESY

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
7	TL-domain	[U-15N]	1.5 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium azide	natural abundance	0.2 % w/v

14 3D 1H-15N NOESY

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
7	TL-domain	[U-15N]	1.5 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium azide	natural abundance	0.2 % w/v

15 3D HNHB

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
7	TL-domain	[U-15N]	1.5 mM
8	sodium phosphate	natural abundance	20 mM
9	sodium azide	natural abundance	0.2 % w/v

16 3D HN(CA)CO

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
1	TL-domain	[U-13C; U-15N]	1.5 mM
2	sodium phosphate	natural abundance	20 mM
3	sodium azide	natural abundance	0.2 % w/v

17 2D H-H NOESY (50ms)

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 99.8% D2O/0.2% H2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
10	TL-domain	natural abundance	1.5 mM
11	sodium phosphate	natural abundance	20 mM
12	sodium azide	natural abundance	0.2 % w/v

18 3D CCH-TOCSY

Instrument

Varian Inova - 600 MHz

Sample

State isotropic, Solvent system 99.8% D2O/0.2% H2O, Pressure 1 atm, Temperature 273 K, pH 6.00

#	Name	Isotope labeling	Concentration
4	TL-domain	[U-13C; U-15N]	1.5 mM
5	sodium phosphate	natural abundance	20 mM
6	sodium azide	natural abundance	0.2 % w/v

NMR combined restraints 6 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_18566_2m5s.nef
Input source #2: Coordindates	2m5s.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

--220-------230-------240-------250-------260-------270-------280-------290-------300-------310-----
HHHHHHGSTATGITVSGAQSFKPVAWQLDNDGNKVNVDNRFATVTLSATTGMKRGDKISFAGVKFLGQMAKNVLAQDATFSVVRVVDGTHVEITPKPVAL
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
HHHHHHGSTATGITVSGAQSFKPVAWQLDNDGNKVNVDNRFATVTLSATTGMKRGDKISFAGVKFLGQMAKNVLAQDATFSVVRVVDGTHVEITPKPVAL
--------10--------20--------30--------40--------50--------60--------70--------80--------90-------100

--320-------330-------340-----
DDVSLSPEQRAYANVNTSLADAMAVNILNV
||||||||||||||||||||||||||||||
DDVSLSPEQRAYANVNTSLADAMAVNILNV
-------110-------120-------130

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	130	0	0	100.0

Content subtype: combined_18566_2m5s.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	TL-domain_shifts	Warning	1268		94.6 (chain: A, length: 130)
1	Distance restraints	CNS/XPLOR_distance_constraints_5	OK	4199 (1)	noe	92.3 (chain: A, length: 130)
2	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	52 (1)	hbond	27.7 (chain: A, length: 130)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	Warning	15 (15)	.	11.5 (chain: A, length: 130)
2	Dihedral angle restraints	CNS/XPLOR_dihedral_4	OK	152 (152)	.	78.5 (chain: A, length: 130)

Assigned chemical shifts

Saveframe: TL-domain_shifts
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 130, Sequence coverage: 94.6%
- Total number of assignments
  - ¹H chemical shifts: 638
  - ¹³C chemical shifts: 511
  - ¹⁵N chemical shifts: 119
- 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	723	638	88.2
¹³C chemical shifts	560	511	91.2
¹⁵N chemical shifts	145	119	82.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	265	241	90.9
¹³C chemical shifts	260	243	93.5
¹⁵N chemical shifts	126	114	90.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	458	397	86.7
¹³C chemical shifts	300	268	89.3
¹⁵N chemical shifts	19	5	26.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	87	83	95.4
¹³C chemical shifts	87	82	94.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	49	35	71.4
¹³C chemical shifts	48	27	56.2
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_5
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 130, Sequence coverage: 92.3%
- Total number of restraints: 4184
- Weight of restraints: 1.0 (4184)
- Potential type of restraints: square-well-parabolic (4184)
- Range of distance target values: 1.4, 8.49 (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
- Saveframe: CNS/XPLOR_distance_constraints_2
  - Status: Warning
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 130, Sequence coverage: 27.7%
  - Total number of restraints: 52
  - Weight of restraints: 1.0 (52)
  - Potential type of restraints: square-well-parabolic (52)
  - Range of distance target values: 2.21, 3.22 (Å)
  - Histogram of distance target values
  - Distance restraints per residue
    - Chain_ID: A
  - Distance restraints on contact map

Dihedral angle restraints

Saveframe: CNS/XPLOR_dihedral_3
- Status: Warning
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 130, Sequence coverage: 11.5%
- Total number of restraints: 15
- Total number of restraints per polymer type: 15
- Weight of restraints: 1.0 (15)
- Potential type of restraints: square-well-parabolic (15)
- Dihedral angle restraints per residue
- Saveframe: CNS/XPLOR_dihedral_4
  - Status: OK
  - Experiment type: .
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 130, Sequence coverage: 78.5%
  - Total number of restraints: 152
  - Total number of restraints per polymer type: 152
  - Weight of restraints: 1.0 (152)
  - Potential type of restraints: square-well-parabolic (152)
  - Plot of Phi-Psi angle restraints
  - Dihedral angle restraints per residue
    - Chain_ID: A

Keywords D-loop, capsid, extra-density domain, procapsid, virus assembly

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Found 1 Document (0.744 seconds)

BMRB: 18566

Sample #1

Sample #2

Sample #3

Sample #4

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. TL-domain, : 1 : 6 : 1 entities Detail

Interaction partners 1. TL-domain, : 1 interactors Detail

Experiments performed 18 experiments Detail

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NMR combined restraints 6 contents Detail