BMRBj - BMREntryMaster

Found 1 Document (1.27 seconds)

BMRB: 5741

7REB

Backbone 1NH, 13C and 15N Chemical shift assignments for the ternary DHFR:FOLATE:DHNADPH 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. NDP (non-polymer), 745.421 Da

Total weight

19186.959 Da

Max. entity weight

18000.14 Da

Source organism

Escherichia coli

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 99.4 %, Completeness: 75.9 %, Completeness (bb): 84.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	75.9 % (1401 of 1845)	78.7 % (752 of 955)	68.6 % (499 of 727)	92.0 % (150 of 163)
Backbone	84.2 % (786 of 934)	95.9 % (305 of 318)	71.9 % (336 of 467)	97.3 % (145 of 149)
Sidechain	71.8 % (761 of 1060)	70.2 % (447 of 637)	75.6 % (309 of 409)	35.7 % (5 of 14)
Aromatic	16.9 % (29 of 172)	17.4 % (15 of 86)	11.1 % (9 of 81)	100.0 % (5 of 5)
Methyl	97.7 % (170 of 174)	98.9 % (86 of 87)	96.6 % (84 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	5,6-dihydro 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: 5740 released on 2003-10-07
Title Backbone 1H, 13C and 15N Chemical shift assignments for the ternary DHFR:FOLATE:NADP+ 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	bmr5741_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: bmr5741_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_set_1	Warning	1504		99.4 (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: 99.4%
- Total number of assignments
  - ¹³C chemical shifts: 457
  - ¹H chemical shifts: 897
  - ¹⁵N chemical shifts: 150
- 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	457	62.9
¹H chemical shifts	955	725	75.9
¹⁵N chemical shifts	172	150	87.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	318	157	49.4
¹H chemical shifts	318	304	95.6
¹⁵N chemical shifts	149	145	97.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	409	300	73.3
¹H chemical shifts	637	421	66.1
¹⁵N chemical shifts	23	5	21.7

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	92	86	93.5
¹H chemical shifts	92	86	93.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	81	0	0.0
¹H chemical shifts	86	5	5.8
¹⁵N chemical shifts	5	5	100.0

Keywords chemical shift, Met20 loop conformation

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Found 1 Document (1.27 seconds)

BMRB: 5741

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