BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	97.6 % (1182 of 1211)	97.4 % (610 of 626)	97.5 % (462 of 474)	99.1 % (110 of 111)
Backbone	99.5 % (629 of 632)	99.1 % (215 of 217)	100.0 % (311 of 311)	99.0 % (103 of 104)
Sidechain	96.2 % (652 of 678)	96.6 % (395 of 409)	95.4 % (250 of 262)	100.0 % (7 of 7)
Aromatic	93.8 % (30 of 32)	93.8 % (15 of 16)	93.8 % (15 of 16)
Methyl	97.4 % (152 of 156)	98.7 % (77 of 78)	96.2 % (75 of 78)

1. entity

MKRKIIAVTA CATGVAHTYM AAQALKKGAK KMGNLIKVET QGATGIENEL TEKDVNIGEV VIFAVDTKVR NKERFDGKVV LEVPVSAPIK DAEKVINAAL ALIDEK

Show sample condition

Sample #1

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7, Details pH 6.7

#	Name	Isotope labeling	Concentration
1	Listeria monocytogenes EGD-e	[U-95% 13C; U-95% 15N]	1.2 mM
2	potassium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM

Sample #2

Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
4	Listeria monocytogenes EGD-e	[U-95% 13C; U-95% 15N]	1.2 mM
5	potassium phosphate	natural abundance	20 mM
6	sodium chloride	natural abundance	100 mM

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: -1.07 ppm, Outliers: 2 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: -1.07 ppm, Outliers: 2 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: -0.05 ppm, Outliers: 3 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: 0.26 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2M1Z, Strand ID: A Detail

Release date

2012-12-20

Citation

Solution structure of hypothetical protein lmo0427
Zhang, Y., Winsor, J., Radhakrishnan, I., Anderson, W.
Not known

Related entities 1. hypothetical protein lmo0427, : 1 : 25 entities Detail

Experiments performed 8 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 6.7, Details pH 6.7

#	Name	Isotope labeling	Concentration
1	Listeria monocytogenes EGD-e	[U-95% 13C; U-95% 15N]	1.2 mM
2	potassium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM

2 3D CBCA(CO)NH

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7, Details pH 6.7

#	Name	Isotope labeling	Concentration
1	Listeria monocytogenes EGD-e	[U-95% 13C; U-95% 15N]	1.2 mM
2	potassium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM

3 3D HNCACB

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7, Details pH 6.7

#	Name	Isotope labeling	Concentration
1	Listeria monocytogenes EGD-e	[U-95% 13C; U-95% 15N]	1.2 mM
2	potassium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM

4 3D HNCO

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7, Details pH 6.7

#	Name	Isotope labeling	Concentration
1	Listeria monocytogenes EGD-e	[U-95% 13C; U-95% 15N]	1.2 mM
2	potassium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM

5 3D HCCH-TOCSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
4	Listeria monocytogenes EGD-e	[U-95% 13C; U-95% 15N]	1.2 mM
5	potassium phosphate	natural abundance	20 mM
6	sodium chloride	natural abundance	100 mM

6 3D HCCH-COSY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
4	Listeria monocytogenes EGD-e	[U-95% 13C; U-95% 15N]	1.2 mM
5	potassium phosphate	natural abundance	20 mM
6	sodium chloride	natural abundance	100 mM

7 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 6.7, Details pH 6.7

#	Name	Isotope labeling	Concentration
1	Listeria monocytogenes EGD-e	[U-95% 13C; U-95% 15N]	1.2 mM
2	potassium phosphate	natural abundance	20 mM
3	sodium chloride	natural abundance	100 mM

8 3D 1H-13C NOESY

Instrument

Varian INOVA - 600 MHz

Sample

State isotropic, Solvent system 100% D2O, Pressure 1 atm, Temperature 273 K, pH 6.7

#	Name	Isotope labeling	Concentration
4	Listeria monocytogenes EGD-e	[U-95% 13C; U-95% 15N]	1.2 mM
5	potassium phosphate	natural abundance	20 mM
6	sodium chloride	natural abundance	100 mM

NMR combined restraints 4 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_18887_2m1z.nef
Input source #2: Coordindates	2m1z.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--------70--------80--------90-------100
MKRKIIAVTACATGVAHTYMAAQALKKGAKKMGNLIKVETQGATGIENELTEKDVNIGEVVIFAVDTKVRNKERFDGKVVLEVPVSAPIKDAEKVINAAL
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MKRKIIAVTACATGVAHTYMAAQALKKGAKKMGNLIKVETQGATGIENELTEKDVNIGEVVIFAVDTKVRNKERFDGKVVLEVPVSAPIKDAEKVINAAL

------
ALIDEK
||||||
ALIDEK

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	106	0	0	100.0

Content subtype: combined_18887_2m1z.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1184		100.0 (chain: A, length: 106)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	OK	2608 (1)	noe	100.0 (chain: A, length: 106)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	126 (126)	.	75.5 (chain: A, length: 106)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 106, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 610
  - ¹³C chemical shifts: 462
  - ¹⁵N chemical shifts: 112
- Completeness of assignments
  - Entity_assemble_ID: A
- Redox state of CYS
- 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	626	609	97.3
¹³C chemical shifts	474	462	97.5
¹⁵N chemical shifts	114	112	98.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	217	214	98.6
¹³C chemical shifts	212	212	100.0
¹⁵N chemical shifts	104	103	99.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	409	395	96.6
¹³C chemical shifts	262	250	95.4
¹⁵N chemical shifts	10	9	90.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	81	78	96.3
¹³C chemical shifts	81	75	92.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	16	15	93.8
¹³C chemical shifts	16	15	93.8

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: OK
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 106, Sequence coverage: 100.0%
- Total number of restraints: 2608
- Weight of restraints: 1.0 (2608)
- Potential type of restraints: square-well-parabolic (2608)
- Range of distance target values: 1.75, 4.0 (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: 106, Sequence coverage: 75.5%
- Total number of restraints: 126
- Total number of restraints per polymer type: 126
- Weight of restraints: 1.0 (126)
- Potential type of restraints: square-well-parabolic (126)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords pathogenesis, virulence

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Found 1 Document (0.667 seconds)

BMRB: 18887

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. hypothetical protein lmo0427, : 1 : 25 entities Detail

Experiments performed 8 experiments Detail

Instrument

Sample

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Sample

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NMR combined restraints 4 contents Detail