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Found 1 Document (4.216 seconds)

BMRB: 6923

2MF9

Backbone 1H, 13C, and 15N resonance assignments of the N-terminal domain of FKBP38 (FKBP38NTD)

Authors

Kang, C., Ye, H., Vivekanandan, S., Yoon, H.

Assembly

FKBP38

Entity

1. FKBP38 (polymer, Thiol state: all free), 157 monomers, 16891.97 Da Detail

MGQPPAEEAE QPGALAREFL AAMEPEPAPA PAPEEWLDIL GNGLLRKKTL VPGPPGSSRP VKGQVVTVHL QTSLENGTRV QEEPELVFTL GDCDVIQALD LSVPLMDVGE TAMVTADSKY CYGPQGSRSP YIPPHAALCL EVTLKTAVDL EHHHHHH

Formula weight

16891.97 Da

Source organism

Homo sapiens

Exptl. method

NMR

Refine. method

SIMULATED ANNEALING

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 94.3 %, Completeness: 89.8 %, Completeness (bb): 91.6 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	89.8 % (1566 of 1744)	89.8 % (812 of 904)	89.0 % (615 of 691)	93.3 % (139 of 149)
Backbone	91.6 % (830 of 906)	92.5 % (285 of 308)	90.4 % (415 of 459)	93.5 % (130 of 139)
Sidechain	88.6 % (871 of 983)	88.4 % (527 of 596)	88.9 % (335 of 377)	90.0 % (9 of 10)
Aromatic	67.0 % (59 of 88)	68.2 % (30 of 44)	65.1 % (28 of 43)	100.0 % (1 of 1)
Methyl	99.5 % (183 of 184)	98.9 % (91 of 92)	100.0 % (92 of 92)

1. FKBP38

MGQPPAEEAE QPGALAREFL AAMEPEPAPA PAPEEWLDIL GNGLLRKKTL VPGPPGSSRP VKGQVVTVHL QTSLENGTRV QEEPELVFTL GDCDVIQALD LSVPLMDVGE TAMVTADSKY CYGPQGSRSP YIPPHAALCL EVTLKTAVDL EHHHHHH

Show sample condition

Sample #1

Temperature 303 (±0.1) K, pH 7 (±0.2)

#	Name	Isotope labeling	Concentration
1	FKBP38	[U-15N]	0.3 ~ 0.5 mM
2	Na-PO4		20 mM
3	NaCl		10 mM
4	DTT		1 mM
5	Na3N		1 mM
6	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7 (±0.2)

#	Name	Isotope labeling	Concentration
7	FKBP38	[U-13C; U-15N]	0.3 ~ 0.5 mM
8	Na-PO4		20 mM
9	NaCl		10 mM
10	DTT		1 mM
11	Na3N		1 mM
12	D2O		10 %

LACS Plot; CA

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

Referencing offset: 0.63 ppm, Outliers: 1 Detail

LACS Plot; CB

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

Referencing offset: 0.63 ppm, Outliers: 1 Detail

LACS Plot; HA

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

Referencing offset: -0.08 ppm, Outliers: 7 Detail

LACS Plot; CO

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

Referencing offset: 1.06 ppm, Outliers: 1 Detail

Protein Blocks Logo

Calculated from 20 models in PDB: 2MF9, Strand ID: A Detail

Release date

2007-01-28

Citation 1

Functional role of the flexible N-terminal extension of FKBP38 in catalysis
Kang, C., Ye, H., Chia, J., Choi, B., Dhe-Paganon, S., Simon, B., Schutz, U., Sattler, M., Yoon, H.
Sci. Rep. (2013), 3, 2985-2985, PubMed 24145868 , DOI 10.1038/srep02985 , Abstract

Show more 1 citaion

Citation 2

Backbone 1H, 13C, and 15N resonance assignments of the N-terminal domain of FKBP38 (FKBP38NTD)
Kang, C., Ye, H., Vivekanandan, S., Simon, B., Sattler, M., Yoon, H.
J. Biomol. NMR (2006), 36 Suppl 1, 37-37, PubMed 16718587 , DOI 10.1007/s10858-006-9001-5 , Abstract

Hide non-primary 1 citaion

Related entities 1. FKBP38, : 1 : 34 entities Detail

Interaction partners 1. FKBP38, : 57 interactors Detail

More details for 57 interactors identified by 28 citations

Experiments performed 6 experiments Detail

1 1H15N_HSQC

Instrument

Model Bruker Avance (700 MHz) Details Spectra were acquired at 303 K on a 700 MHz equipped with cryogenic probe.

Sample #1

Temperature 303 (±0.1) K, pH 7 (±0.2)

#	Name	Isotope labeling	Concentration
1	FKBP38	[U-15N]	0.3 ~ 0.5 mM
2	Na-PO4		20 mM
3	NaCl		10 mM
4	DTT		1 mM
5	Na3N		1 mM
6	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7 (±0.2)

#	Name	Isotope labeling	Concentration
7	FKBP38	[U-13C; U-15N]	0.3 ~ 0.5 mM
8	Na-PO4		20 mM
9	NaCl		10 mM
10	DTT		1 mM
11	Na3N		1 mM
12	D2O		10 %

2 3D_HNCA

Instrument

Model Bruker Avance (700 MHz) Details Spectra were acquired at 303 K on a 700 MHz equipped with cryogenic probe.

Sample #1

Temperature 303 (±0.1) K, pH 7 (±0.2)

#	Name	Isotope labeling	Concentration
1	FKBP38	[U-15N]	0.3 ~ 0.5 mM
2	Na-PO4		20 mM
3	NaCl		10 mM
4	DTT		1 mM
5	Na3N		1 mM
6	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7 (±0.2)

#	Name	Isotope labeling	Concentration
7	FKBP38	[U-13C; U-15N]	0.3 ~ 0.5 mM
8	Na-PO4		20 mM
9	NaCl		10 mM
10	DTT		1 mM
11	Na3N		1 mM
12	D2O		10 %

3 3D_HN(CO)CA

Instrument

Model Bruker Avance (700 MHz) Details Spectra were acquired at 303 K on a 700 MHz equipped with cryogenic probe.

Sample #1

Temperature 303 (±0.1) K, pH 7 (±0.2)

#	Name	Isotope labeling	Concentration
1	FKBP38	[U-15N]	0.3 ~ 0.5 mM
2	Na-PO4		20 mM
3	NaCl		10 mM
4	DTT		1 mM
5	Na3N		1 mM
6	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7 (±0.2)

#	Name	Isotope labeling	Concentration
7	FKBP38	[U-13C; U-15N]	0.3 ~ 0.5 mM
8	Na-PO4		20 mM
9	NaCl		10 mM
10	DTT		1 mM
11	Na3N		1 mM
12	D2O		10 %

4 3D_HNCO

Instrument

Model Bruker Avance (700 MHz) Details Spectra were acquired at 303 K on a 700 MHz equipped with cryogenic probe.

Sample #1

Temperature 303 (±0.1) K, pH 7 (±0.2)

#	Name	Isotope labeling	Concentration
1	FKBP38	[U-15N]	0.3 ~ 0.5 mM
2	Na-PO4		20 mM
3	NaCl		10 mM
4	DTT		1 mM
5	Na3N		1 mM
6	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7 (±0.2)

#	Name	Isotope labeling	Concentration
7	FKBP38	[U-13C; U-15N]	0.3 ~ 0.5 mM
8	Na-PO4		20 mM
9	NaCl		10 mM
10	DTT		1 mM
11	Na3N		1 mM
12	D2O		10 %

5 3D_HNCACB

Instrument

Model Bruker Avance (700 MHz) Details Spectra were acquired at 303 K on a 700 MHz equipped with cryogenic probe.

Sample #1

Temperature 303 (±0.1) K, pH 7 (±0.2)

#	Name	Isotope labeling	Concentration
1	FKBP38	[U-15N]	0.3 ~ 0.5 mM
2	Na-PO4		20 mM
3	NaCl		10 mM
4	DTT		1 mM
5	Na3N		1 mM
6	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7 (±0.2)

#	Name	Isotope labeling	Concentration
7	FKBP38	[U-13C; U-15N]	0.3 ~ 0.5 mM
8	Na-PO4		20 mM
9	NaCl		10 mM
10	DTT		1 mM
11	Na3N		1 mM
12	D2O		10 %

6 3D_CBCA(CO)NH

Instrument

Model Bruker Avance (700 MHz) Details Spectra were acquired at 303 K on a 700 MHz equipped with cryogenic probe.

Sample #1

Temperature 303 (±0.1) K, pH 7 (±0.2)

#	Name	Isotope labeling	Concentration
1	FKBP38	[U-15N]	0.3 ~ 0.5 mM
2	Na-PO4		20 mM
3	NaCl		10 mM
4	DTT		1 mM
5	Na3N		1 mM
6	D2O		10 %

Sample #2

Temperature 303 (±0.1) K, pH 7 (±0.2)

#	Name	Isotope labeling	Concentration
7	FKBP38	[U-13C; U-15N]	0.3 ~ 0.5 mM
8	Na-PO4		20 mM
9	NaCl		10 mM
10	DTT		1 mM
11	Na3N		1 mM
12	D2O		10 %

NMR combined restraints 5 contents Detail

Properties

Input source #1: NMR data (NEF) - Assigned chemical shifts, Distance restraints, Dihedral angle restraints	combined_6923_2mf9.nef
Input source #2: Coordindates	2mf9.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
MGQPPAEEAEQPGALAREFLAAMEPEPAPAPAPEEWLDILGNGLLRKKTLVPGPPGSSRPVKGQVVTVHLQTSLENGTRVQEEPELVFTLGDCDVIQALD
||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||||
MGQPPAEEAEQPGALAREFLAAMEPEPAPAPAPEEWLDILGNGLLRKKTLVPGPPGSSRPVKGQVVTVHLQTSLENGTRVQEEPELVFTLGDCDVIQALD

-------110-------120-------130-------140-------150-------
LSVPLMDVGETAMVTADSKYCYGPQGSRSPYIPPHAALCLEVTLKTAVDLEHHHHHH
|||||||||||||||||||||||||||||||||||||||||||||||||||||||||
LSVPLMDVGETAMVTADSKYCYGPQGSRSPYIPPHAALCLEVTLKTAVDLEHHHHHH

Chain assignments

Entity_assembly_ID (NMR)	Auth_asym_ID (model)	Length	Unmapped	Conflict	Sequence coverage (%)
A	A	157	0	0	100.0

Content subtype: combined_6923_2mf9.nef

#	Content subtype	Saveframe	Status	# of rows (sets)	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	chem_shift_list_1	Warning	1568		92.4 (chain: A, length: 157)
1	Distance restraints	CNS/XPLOR_distance_constraints_2	Warning	5585 (1)	noe	92.4 (chain: A, length: 157)
2	Distance restraints	CNS/XPLOR_distance_constraints_4	OK	76 (1)	hbond	31.8 (chain: A, length: 157)
1	Dihedral angle restraints	CNS/XPLOR_dihedral_3	OK	152 (152)	.	72.6 (chain: A, length: 157)

Assigned chemical shifts

Saveframe: chem_shift_list_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 157, Sequence coverage: 92.4%
- Total number of assignments
  - ¹H chemical shifts: 819
  - ¹³C chemical shifts: 611
  - ¹⁵N chemical shifts: 138
- 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

Comp_index_ID	Comp_ID	Atom_ID	CS value (ppm)
46	ARG	HH11	7.018
46	ARG	HH12	7.018
46	ARG	HH21	7.018
46	ARG	HH22	7.018
79	ARG	HH11	6.8
79	ARG	HH12	6.8
79	ARG	HH21	6.543
79	ARG	HH22	6.543
97	GLN	CD	177.252
125	GLN	CD	178.235

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	904	811	89.7
¹³C chemical shifts	691	608	88.0
¹⁵N chemical shifts	154	138	89.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	308	285	92.5
¹³C chemical shifts	314	274	87.3
¹⁵N chemical shifts	139	129	92.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	596	526	88.3
¹³C chemical shifts	377	334	88.6
¹⁵N chemical shifts	15	9	60.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	96	95	99.0
¹³C chemical shifts	96	95	99.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	44	30	68.2
¹³C chemical shifts	43	28	65.1
¹⁵N chemical shifts	1	1	100.0

Distance restraints

Saveframe: CNS/XPLOR_distance_constraints_2
- Status: Warning
- Experiment type: noe
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 157, Sequence coverage: 92.4%
- Total number of restraints: 5575
- Weight of restraints: 1.0 (5575)
- Potential type of restraints: square-well-parabolic (5575)
- Range of distance target values: 1.55, 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
- Saveframe: CNS/XPLOR_distance_constraints_4
  - Status: OK
  - Experiment type: hbond
  - Sequence coverage of experimental data
    - Entity_assembly_ID: A, Chain length: 157, Sequence coverage: 31.8%
  - Total number of restraints: 76
  - Weight of restraints: 1.0 (76)
  - Potential type of restraints: square-well-parabolic (76)
  - Range of distance target values: 2.05, 3.05 (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: OK
- Experiment type: .
- Sequence coverage of experimental data
  - Entity_assembly_ID: A, Chain length: 157, Sequence coverage: 72.6%
- 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

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Found 1 Document (4.216 seconds)

BMRB: 6923

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. FKBP38, : 1 : 34 entities Detail

Interaction partners 1. FKBP38, : 57 interactors Detail

Experiments performed 6 experiments Detail

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Sample #2

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NMR combined restraints 5 contents Detail