BMRBj - BMREntryMaster

Found 1 Document (0.512 seconds)

BMRB: 27690

6WBU

MtFKBP

Authors

Andrade, G.C., Silva, L.F.C., Oliveira, D.M.P., Pires, J.R.M., Almeida, F.C.L., Anobom, C.D.

Assembly

FKBP12 from M. tuberculosis monomer

Entity

1. FKBP12 from M. tuberculosis monomer (polymer, Thiol state: not present), 126 monomers, 13444.02 Da Detail

GAMALERPEI DFPEGQPPEY LDITDITEGD GPEAVKGSNV SMHYVGVSWS TGEEFDASWN RGSTLDFTLG TGRVIKGWDM GIAGMKVGGR RKLVIPPHLA YGDRSPSPAI KPGETLIFVV DLVGVG

Formula weight

13444.02 Da

Source organism

Mycobacterium tuberculosis

Exptl. method

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.2 %, Completeness: 94.5 %, Completeness (bb): 97.1 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	94.5 % (1317 of 1393)	94.3 % (678 of 719)	94.0 % (519 of 552)	98.4 % (120 of 122)
Backbone	97.1 % (715 of 736)	95.8 % (250 of 261)	97.8 % (351 of 359)	98.3 % (114 of 116)
Sidechain	92.5 % (707 of 764)	93.4 % (428 of 458)	91.0 % (273 of 300)	100.0 % (6 of 6)
Aromatic	73.1 % (79 of 108)	85.2 % (46 of 54)	58.8 % (30 of 51)	100.0 % (3 of 3)
Methyl	97.1 % (132 of 136)	95.6 % (65 of 68)	98.5 % (67 of 68)

1. MtFKBP

GAMALERPEI DFPEGQPPEY LDITDITEGD GPEAVKGSNV SMHYVGVSWS TGEEFDASWN RGSTLDFTLG TGRVIKGWDM GIAGMKVGGR RKLVIPPHLA YGDRSPSPAI KPGETLIFVV DLVGVG

Show sample condition

Sample

Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	PMSF	natural abundance		2 mM
2	EDTA	natural abundance		5 mM
3	sodium azide	natural abundance		5 mM
4	sodium chloride	natural abundance		150 mM
5	sodium phosphate	natural abundance		50 mM

LACS Plot; CA

Referencing offset: -0.14 ppm, Outliers: 2 Detail

LACS Plot; CB

Referencing offset: -0.14 ppm, Outliers: 2 Detail

LACS Plot; HA

Referencing offset: -0.14 ppm, Outliers: 1 Detail

LACS Plot; CO

Referencing offset: 0.44 ppm, Outliers: 1 Detail

Release date

2018-11-12

Citation

Backbone and side chain ¹H, ¹⁵N and ¹³C assignments of a putative peptidyl prolyl cis-trans isomerase FKBP12 from Mycobacterium tuberculosis
Andrade, G.C., Silva, L.F.C., Oliveira, D.M.P., Pires, J.R.M., Almeida, F.C.L., Anobom, C.D.
Biomol. NMR Assign. (2019), 13, 239-243, PubMed 30879170 , DOI 10.1007/s12104-019-09884-z , Abstract

Related entities 1. FKBP12 from M. tuberculosis monomer, : 1 : 169 entities Detail

Experiments performed 12 experiments Detail

1 2D 1H-15N HSQC

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	PMSF	natural abundance		2 mM
2	EDTA	natural abundance		5 mM
3	sodium azide	natural abundance		5 mM
4	sodium chloride	natural abundance		150 mM
5	sodium phosphate	natural abundance		50 mM

2 2D 1H-13C HSQC aliphatic

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	PMSF	natural abundance		2 mM
2	EDTA	natural abundance		5 mM
3	sodium azide	natural abundance		5 mM
4	sodium chloride	natural abundance		150 mM
5	sodium phosphate	natural abundance		50 mM

3 2D 1H-13C HSQC aromatic

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	PMSF	natural abundance		2 mM
2	EDTA	natural abundance		5 mM
3	sodium azide	natural abundance		5 mM
4	sodium chloride	natural abundance		150 mM
5	sodium phosphate	natural abundance		50 mM

4 3D CBCA(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	PMSF	natural abundance		2 mM
2	EDTA	natural abundance		5 mM
3	sodium azide	natural abundance		5 mM
4	sodium chloride	natural abundance		150 mM
5	sodium phosphate	natural abundance		50 mM

5 3D HNCO

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	PMSF	natural abundance		2 mM
2	EDTA	natural abundance		5 mM
3	sodium azide	natural abundance		5 mM
4	sodium chloride	natural abundance		150 mM
5	sodium phosphate	natural abundance		50 mM

6 3D HNCA

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	PMSF	natural abundance		2 mM
2	EDTA	natural abundance		5 mM
3	sodium azide	natural abundance		5 mM
4	sodium chloride	natural abundance		150 mM
5	sodium phosphate	natural abundance		50 mM

7 3D HNCACB

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	PMSF	natural abundance		2 mM
2	EDTA	natural abundance		5 mM
3	sodium azide	natural abundance		5 mM
4	sodium chloride	natural abundance		150 mM
5	sodium phosphate	natural abundance		50 mM

8 3D HBHA(CO)NH

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	PMSF	natural abundance		2 mM
2	EDTA	natural abundance		5 mM
3	sodium azide	natural abundance		5 mM
4	sodium chloride	natural abundance		150 mM
5	sodium phosphate	natural abundance		50 mM

9 3D HCCH-TOCSY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	PMSF	natural abundance		2 mM
2	EDTA	natural abundance		5 mM
3	sodium azide	natural abundance		5 mM
4	sodium chloride	natural abundance		150 mM
5	sodium phosphate	natural abundance		50 mM

10 3D 1H-15N NOESY

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	PMSF	natural abundance		2 mM
2	EDTA	natural abundance		5 mM
3	sodium azide	natural abundance		5 mM
4	sodium chloride	natural abundance		150 mM
5	sodium phosphate	natural abundance		50 mM

11 3D 1H-13C NOESY aliphatic

Instrument

Bruker DRX - 600 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	PMSF	natural abundance		2 mM
2	EDTA	natural abundance		5 mM
3	sodium azide	natural abundance		5 mM
4	sodium chloride	natural abundance		150 mM
5	sodium phosphate	natural abundance		50 mM

12 3D 1H-13C NOESY aromatic

Instrument

Bruker Avance - 900 MHz

Sample

State isotropic, Solvent system 90% H2O/10% D2O, Pressure 1 atm, Temperature 298 K, pH 7.0

#	Name	Isotope labeling	Type	Concentration
1	PMSF	natural abundance		2 mM
2	EDTA	natural abundance		5 mM
3	sodium azide	natural abundance		5 mM
4	sodium chloride	natural abundance		150 mM
5	sodium phosphate	natural abundance		50 mM

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr27690_3.str
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

Content subtype: bmr27690_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chem_shift_list_1	Warning	1463		99.2 (chain: 1, length: 126)
1	Chemical shift references	chemical_shift_reference_1	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 126, Sequence coverage: 99.2%
- Total number of assignments
  - ¹H chemical shifts: 813
  - ¹³C chemical shifts: 517
  - ¹⁵N chemical shifts: 133
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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: 1