BMRBj - BMREntryMaster

Found 1 Document (1.34 seconds)

BMRB: 4031

8R5V

1H, 13C and 15N Resonance Assignments for the Bovine Pancreatic Ribonuclease A at pH* 4.6 and Temperature of 20 Deg. C

Authors

Shimotakahara, S., Rios, C.B., Laity, J.H., Zimmerman, D.E., Scheraga, H.A., Montelione, G.T.

Assembly

bovine pancreatic ribonuclease A

Entity

1. bovine pancreatic ribonuclease A (polymer), 124 monomers, 13690.17 Da Detail

KETAAAKFER QHMDSSTSAA SSSNYCNQMM KSRNLTKDRC KPVNTFVHES LADVQAVCSQ KNVACKNGQT NCYQSYSTMS ITDCRETGSS KYPNCAYKTT QANKHIIVAC EGNPYVPVHF DASV

Formula weight

13690.17 Da

Source organism

Bos taurus

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 59.0 %, Completeness (bb): 98.9 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	59.0 % (812 of 1376)	43.1 % (308 of 714)	73.1 % (384 of 525)	87.6 % (120 of 137)
Backbone	98.9 % (728 of 736)	98.8 % (244 of 247)	98.9 % (365 of 369)	99.2 % (119 of 120)
Sidechain	26.0 % (198 of 761)	13.3 % (62 of 467)	48.7 % (135 of 277)	5.9 % (1 of 17)
Aromatic	0.0 % (0 of 94)	0.0 % (0 of 47)	0.0 % (0 of 47)
Methyl	28.0 % (28 of 100)	20.0 % (10 of 50)	36.0 % (18 of 50)

1. bovine pancreatic ribonuclease A

KETAAAKFER QHMDSSTSAA SSSNYCNQMM KSRNLTKDRC KPVNTFVHES LADVQAVCSQ KNVACKNGQT NCYQSYSTMS ITDCRETGSS KYPNCAYKTT QANKHIIVAC EGNPYVPVHF DASV

Show sample condition

Sample #1

Temperature 293 K, pH 4.6

#	Name	Isotope labeling	Concentration
1	bovine pancreatic ribonuclease A	[U-15N]	2.7 mM
2	D2O		10 %
3	H2O		90 %

Sample #2

Temperature 293 K, pH 4.6

#	Name	Isotope labeling	Concentration
4	bovine pancreatic ribonuclease A	[U-15N; U-13C]	2.0 mM
5	D2O		10 %
6	H2O		90 %

LACS Plot; CA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	null	direct	0.0

Referencing offset: 0.52 ppm, Outliers: 1 Detail

LACS Plot; CB

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	null	direct	0.0

Referencing offset: 0.52 ppm, Outliers: 1 Detail

LACS Plot; HA

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	null	direct	0.0

Referencing offset: -0.15 ppm, Outliers: 1 Detail

LACS Plot; CO

Atom type	Mol. common name	Atom group	Ref. method	Ref. type	Shift ratio
¹⁵N	DSS	methyl protons	null	indirect	0.1013291
¹³C	DSS	methyl protons	null	indirect	0.2514495
¹H	DSS	methyl protons	null	direct	0.0

Referencing offset: 0.16 ppm, Outliers: 3 Detail

Release date

2000-11-09

Citation

NMR structural analysis of an analog of an intermediate formed in the rate-determining step of one pathway in the oxidative folding of bovine pancreatic ribonuclease A: automated analysis of 1H, 13C, and 15N resonance assignments for wild-type and [C65S, C72S] mutant forms
Shimotakahara, S., Rios, C.B., Laity, J.H., Zimmerman, D.E., Scheraga, H.A., Montelione, G.T.
Biochemistry (1997), 36, 6915-6929, PubMed 9188686 , DOI 10.1021/bi963024k , Abstract

Related entities 1. bovine pancreatic ribonuclease A, : 1 : 101 : 139 entities Detail

Interaction partners 1. bovine pancreatic ribonuclease A, : 8 interactors Detail

More details for 8 interactors identified by 6 citations

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4031_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: bmr4031_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_one	Warning	731		100.0 (chain: 1, length: 124)
1	Chemical shift references	chemical_shift_reference_one	OK	2		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_one
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 124, Sequence coverage: 100.0%
- Total number of assignments
  - ¹H chemical shifts: 244
  - ¹³C chemical shifts: 368
  - ¹⁵N chemical shifts: 119
- Completeness of assignments
  - Entity_assemble_ID: 1
- Redox state of CYS
- Peptide bond of PRO
- 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 (%)
¹H chemical shifts	54	0	0.0
¹³C chemical shifts	54	12	22.2

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Found 1 Document (1.34 seconds)

BMRB: 4031

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. bovine pancreatic ribonuclease A, : 1 : 101 : 139 entities Detail

Interaction partners 1. bovine pancreatic ribonuclease A, : 8 interactors Detail

Chemical shift validation 3 contents Detail

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	714	244	34.2
¹³C chemical shifts	525	368	70.1
¹⁵N chemical shifts	141	119	84.4

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	247	244	98.8
¹³C chemical shifts	248	248	100.0
¹⁵N chemical shifts	120	119	99.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	467	0	0.0
¹³C chemical shifts	277	120	43.3
¹⁵N chemical shifts	21	0	0.0