BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	41.8 % (410 of 980)	20.9 % (106 of 508)	60.3 % (235 of 390)	84.1 % (69 of 82)
Backbone	75.2 % (367 of 488)	45.5 % (75 of 165)	91.0 % (223 of 245)	88.5 % (69 of 78)
Sidechain	20.3 % (116 of 571)	9.3 % (32 of 343)	37.5 % (84 of 224)	0.0 % (0 of 4)
Aromatic	10.5 % (8 of 76)	10.5 % (4 of 38)	10.8 % (4 of 37)	0.0 % (0 of 1)
Methyl	15.1 % (16 of 106)	11.3 % (6 of 53)	18.9 % (10 of 53)

1. FeoA

MQYTPDTAWK ITGFSREISP AYRQKLLSLG MLPGSSFNVV RVAPLGDPIH IETRRVSLVL RKKDLALLEV EAVSSLEHHH HHH

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7

#	Name	Isotope labeling	Concentration
1	HEPES	natural abundance	20 mM
2	DSS	natural abundance	1 mM
3	D2O	[U-100% 2H]	10 %
4	sodium chloride	natural abundance	100 mM
5	FeoA	[U-95% 13C; U-95% 15N]	0.8 mM
6	H2O	natural abundance	90 %

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: -0.07 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: -0.07 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: 0.07 ppm, Outliers: 2 Detail

Protein Blocks Logo

Calculated from 30 models in PDB: 2LX9, Strand ID: A Detail

Release date

2012-11-11

Citation

Solution structure of Escherichia coli FeoA and its potential role in bacterial ferrous iron transport
Lau, C.K.Y., Ishida, H., Liu, Z., Vogel, H.J.
J. Bacteriol. (2013), 195, 46-55, PubMed 23104801 , DOI 10.1128/JB.01121-12 , Abstract

Related entities 1. FeoA, : 1 : 2 : 4 entities Detail

Experiments performed 2 experiments Detail

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_18668_2lx9.nef
Input source #2: Coordindates	2lx9.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---
MQYTPDTAWKITGFSREISPAYRQKLLSLGMLPGSSFNVVRVAPLGDPIHIETRRVSLVLRKKDLALLEVEAVSSLEHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MQYTPDTAWKITGFSREISPAYRQKLLSLGMLPGSSFNVVRVAPLGDPIHIETRRVSLVLRKKDLALLEVEAVSSLEHHHHHH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	83	0	0	100.0

Content subtype: combined_18668_2lx9.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	361		91.6 (chain: A, length: 83)
1	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	1665 (1)	noe	91.6 (chain: A, length: 83)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	40 (1)	hbond	34.9 (chain: A, length: 83)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	129 (129)	.	85.5 (chain: A, length: 83)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 83, Sequence coverage: 91.6%
- Total number of assignments
  - ¹³C chemical shifts: 223
  - ¹H chemical shifts: 69
  - ¹⁵N chemical shifts: 69
- 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	390	223	57.2
¹H chemical shifts	508	69	13.6
¹⁵N chemical shifts	88	69	78.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	166	151	91.0
¹H chemical shifts	165	69	41.8
¹⁵N chemical shifts	78	69	88.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	224	72	32.1
¹H chemical shifts	343	0	0.0
¹⁵N chemical shifts	10	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	55	5	9.1
¹H chemical shifts	55	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	37	0	0.0
¹H chemical shifts	38	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: 83, Sequence coverage: 91.6%
- Total number of restraints: 1659
- Weight of restraints: 1.0 (1659)
- Potential type of restraints: square-well-parabolic (1659)
- Range of distance target values: 1.09, 2.75 (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_4
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 83, Sequence coverage: 34.9%
  - Total number of restraints: 40
  - Weight of restraints: 1.0 (40)
  - Potential type of restraints: square-well-parabolic (40)
  - Range of distance target values: 1.0, 1.5 (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_2
- Status: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 83, Sequence coverage: 85.5%
- Total number of restraints: 129
- Total number of restraints per polymer type: 129
- Weight of restraints: 1.0 (129)
- Potential type of restraints: square-well-parabolic (129)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

Keywords FeoA

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Found 1 Document (0.649 seconds)

BMRB: 18668

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. FeoA, : 1 : 2 : 4 entities Detail

Experiments performed 2 experiments Detail

Instrument

Sample

Instrument

Sample

NMR combined restraints 5 contents Detail