BMRBj - BMREntryMaster

	Total	¹H	¹³C	¹⁵N
All	81.5 % (1240 of 1521)	91.5 % (725 of 792)	65.1 % (381 of 585)	93.1 % (134 of 144)
Backbone	94.1 % (738 of 784)	96.7 % (264 of 273)	91.9 % (352 of 383)	95.3 % (122 of 128)
Sidechain	71.0 % (608 of 856)	88.8 % (461 of 519)	42.1 % (135 of 321)	75.0 % (12 of 16)
Aromatic	42.6 % (46 of 108)	83.3 % (45 of 54)	0.0 % (0 of 53)	100.0 % (1 of 1)
Methyl	66.0 % (99 of 150)	97.3 % (73 of 75)	34.7 % (26 of 75)

1. Rv0020c Nter

MGSQKRLVQR VERKLEQTVG DAFARIFGGS IVPQEVEALL RREAADGIQS LQGNRLLAPN EYIITLGVHD FEKLGADPEL KSTGFARDLA DYIQEQGWQT YGDVVVRFEQ SSNLHTGQFR ARGTVNPDVE TH

Show sample condition

Sample #1

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±0.1) K, pH 6.8 (±0.1), Details Rv0020c_Nter

#	Name	Isotope labeling	Type	Concentration
1	Rv0020c_Nter	[U-15N]		0.5 (±0.01) mM

Sample #2

Solvent system 95% H2O/5% D2O, Pressure 1 atm, Temperature 293 (±0.1) K, pH 6.8 (±0.1), Details Rv0020c_Nter

#	Name	Isotope labeling	Type	Concentration
2	Rv0020c_Nter	[U-13C; U-15N]		0.5 (±0.01) 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: -0.29 ppm, Outliers: 2 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: -0.29 ppm, Outliers: 2 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

LACS Plot; CO

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: -0.03 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 30 models in PDB: 2LC0, Strand ID: A Detail

Release date

2011-10-25

Citation

Structural insight into the Mycobacterium tuberculosis Rv0020c protein and its interaction with the PknB kinase
Roumestand, C., Leiba, J., Galophe, N., Margeat, E., Padilla, A., Bessin, Y., Barthe, P., Molle, V., Cohen-Gonsaud, M.
Structure (2011), 19, 1525-1534, PubMed 22000520 , DOI 10.1016/j.str.2011.07.011 , Abstract

Related entities 1. Rv0020c Nter, : 1 : 2 entities Detail

Interaction partners 1. Rv0020c Nter, : 1 interactors Detail

More details for 1 interactors identified by 1 citations

Experiments performed 7 experiments Detail

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_17585_2lc0.nef
Input source #2: Coordindates	2lc0.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
MGSQKRLVQRVERKLEQTVGDAFARIFGGSIVPQEVEALLRREAADGIQSLQGNRLLAPNEYIITLGVHDFEKLGADPELKSTGFARDLADYIQEQGWQT
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MGSQKRLVQRVERKLEQTVGDAFARIFGGSIVPQEVEALLRREAADGIQSLQGNRLLAPNEYIITLGVHDFEKLGADPELKSTGFARDLADYIQEQGWQT

-------110-------120-------130--
YGDVVVRFEQSSNLHTGQFRARGTVNPDVETH
||||||||||||||||||||||||||||||||
YGDVVVRFEQSSNLHTGQFRARGTVNPDVETH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	132	0	0	100.0

Content subtype: combined_17585_2lc0.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1184		97.0 (chain: A, length: 132)
1	Distance restraints	CNS/XPLOR_distance_constraints_4	Warning	2046 (1)	noe	92.4 (chain: A, length: 132)
2	Distance restraints	CNS/XPLOR_distance_constraints_3	OK	92 (1)	hbond	50.0 (chain: A, length: 132)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_2	OK	186 (186)	.	81.1 (chain: A, length: 132)

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 132, Sequence coverage: 97.0%
- Total number of assignments
  - ¹H chemical shifts: 702
  - ¹³C chemical shifts: 342
  - ¹⁵N chemical shifts: 140
- 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 (%)
¹H chemical shifts	792	701	88.5
¹³C chemical shifts	585	342	58.5
¹⁵N chemical shifts	155	140	90.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	273	260	95.2
¹³C chemical shifts	264	240	90.9
¹⁵N chemical shifts	128	121	94.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	519	441	85.0
¹³C chemical shifts	321	102	31.8
¹⁵N chemical shifts	27	19	70.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	76	71	93.4
¹³C chemical shifts	76	9	11.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	54	45	83.3
¹³C chemical shifts	53	0	0.0
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_4
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 132, Sequence coverage: 92.4%
- Total number of restraints: 2046
- Weight of restraints: 1.0 (2046)
- Potential type of restraints: square-well-parabolic (2046)
- Range of distance target values: 2.17, 3.65 (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_3
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 132, Sequence coverage: 50.0%
  - Total number of restraints: 92
  - Weight of restraints: 1.0 (92)
  - Potential type of restraints: square-well-parabolic (92)
  - Range of distance target values: 2.05, 2.55 (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: 132, Sequence coverage: 81.1%
- Total number of restraints: 186
- Total number of restraints per polymer type: 186
- Weight of restraints: 1.0 (186)
- Potential type of restraints: square-well-parabolic (186)
- Plot of Phi-Psi angle restraints
- Dihedral angle restraints per residue
  - Chain_ID: A

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Found 1 Document (0.826 seconds)

BMRB: 17585

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Rv0020c Nter, : 1 : 2 entities Detail

Interaction partners 1. Rv0020c Nter, : 1 interactors Detail

Experiments performed 7 experiments Detail

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NMR combined restraints 5 contents Detail