BMRBj - BMREntryMaster

Found 1 Document (1.359 seconds)

BMRB: 5740

7REB

Backbone 1H, 13C and 15N Chemical shift assignments for the ternary DHFR:FOLATE:NADP+ complex

Authors

Osborne, M.J., Venkitakrishnan, R.P., Dyson, H.JANE., Wright, P.E.

Assembly

Dihydrofolate reductase

Entity

1. dihydrofolate reducatse (polymer, Thiol state: all free), 159 monomers, 18000.14 Da Detail

MISLIAALAV DRVIGMENAM PWNLPADLAW FKRNTLDKPV IMGRHTWESI GRPLPGRKNI ILSSQPGTDD RVTWVKSVDE AIAACGDVPE IMVIGGGRVY EQFLPKAQKL YLTHIDAEVE GDTHFPDYEP DDWESVFSEF HDADAQNSHS YCFEILERR

2. FOL (non-polymer), 441.397 Da
3. NAP (non-polymer), 743.405 Da

Total weight

19184.941 Da

Max. entity weight

18000.14 Da

Source organism

Escherichia coli

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.1 %, Completeness: 44.8 %, Completeness (bb): 67.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	44.8 % (826 of 1845)	24.5 % (234 of 955)	62.0 % (451 of 727)	86.5 % (141 of 163)
Backbone	67.0 % (626 of 934)	52.5 % (167 of 318)	68.3 % (319 of 467)	94.0 % (140 of 149)
Sidechain	32.5 % (345 of 1060)	10.5 % (67 of 637)	67.7 % (277 of 409)	7.1 % (1 of 14)
Aromatic	0.6 % (1 of 172)	0.0 % (0 of 86)	1.2 % (1 of 81)	0.0 % (0 of 5)
Methyl	46.6 % (81 of 174)	10.3 % (9 of 87)	82.8 % (72 of 87)

1. dihydrofolate reducatse

MISLIAALAV DRVIGMENAM PWNLPADLAW FKRNTLDKPV IMGRHTWESI GRPLPGRKNI ILSSQPGTDD RVTWVKSVDE AIAACGDVPE IMVIGGGRVY EQFLPKAQKL YLTHIDAEVE GDTHFPDYEP DDWESVFSEF HDADAQNSHS YCFEILERR

Show sample condition

Sample

Temperature 306.4 (±0.1) K

#	Name	Isotope labeling	Concentration
1	dihydrofolate reducatse	[U-13C; U-15N]	1.2 mM
2	FOLIC ACID		20 mM
3	NADP NICOTINAMIDE-ADENINE-DINUCLEOTIDE PHOSPHATE		20 mM
4	potassium chloride		100 mM
5	EDTA		1 mM
6	DTT		1 mM
7	potassium phosphate		50 mM

Release date

2003-10-07

Citation

Diagnostic chemical shift markers for loop conformation and substrate and cofactor binding in dihydrofolate reductase complexes
Osborne, M.J., Venkitakrishnan, R.P., Dyson, H.JANE., Wright, P.E.
Protein Sci. (2003), 12, 2230-2238, PubMed 14500880 , DOI 10.1110/ps.03219603 , Abstract

Entries sharing articles BMRB: 1 entries Detail

BMRB: 5741 released on 2003-10-07
Title Backbone 1NH, 13C and 15N Chemical shift assignments for the ternary DHFR:FOLATE:DHNADPH complex

Related entities 1. dihydrofolate reducatse, : 1 : 50 : 44 : 2 : 103 entities Detail

Experiments performed 5 experiments Detail

Chemical shift validation 5 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5740_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: bmr5740_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	706		98.1 (chain: 1, length: 159)
1	Chemical shift references	chemical_shift_reference	OK	3		No information

Assigned chemical shifts

Saveframe: shift_set_1
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 159, Sequence coverage: 98.1%
- Total number of assignments
  - ¹³C chemical shifts: 428
  - ¹H chemical shifts: 139
  - ¹⁵N chemical shifts: 139
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	727	428	58.9
¹H chemical shifts	955	139	14.6
¹⁵N chemical shifts	172	139	80.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	318	154	48.4
¹H chemical shifts	318	139	43.7
¹⁵N chemical shifts	149	139	93.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	409	274	67.0
¹H chemical shifts	637	0	0.0
¹⁵N chemical shifts	23	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	92	71	77.2
¹H chemical shifts	92	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	81	0	0.0
¹H chemical shifts	86	0	0.0
¹⁵N chemical shifts	5	0	0.0

Keywords chemical shift, Met20 loop conformation

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Found 1 Document (1.359 seconds)

BMRB: 5740

Sample

Entries sharing articles BMRB: 1 entries Detail

Related entities 1. dihydrofolate reducatse, : 1 : 50 : 44 : 2 : 103 entities Detail

Experiments performed 5 experiments Detail

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 5 contents Detail