BMRBj - BMREntryMaster

Found 1 Document (1.386 seconds)

BMRB: 4032

8R5V

1H, 13C and 15N Resonance Assignments for the Bovine Pancreatic [C65S, C72S] 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 [C65S,C72S] ribonuclease A

Entity

1. bovine pancreatic [C65S,C72S] ribonuclease A (polymer, Thiol state: not reported), 124 monomers, 13658.04 Da Detail

KETAAAKFER QHMDSSTSAA SSSNYCNQMM KSRNLTKDRC KPVNTFVHES LADVQAVCSQ KNVASKNGQT NSYQSYSTMS ITDCRETGSS KYPNCAYKTT QANKHIIVAC EGNPYVPVHF DASV

Formula weight

13658.04 Da

Source organism

Bos taurus

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 100.0 %, Completeness: 57.1 %, Completeness (bb): 98.8 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	57.1 % (786 of 1376)	40.6 % (290 of 714)	71.8 % (377 of 525)	86.9 % (119 of 137)
Backbone	98.8 % (727 of 736)	98.8 % (244 of 247)	98.6 % (364 of 369)	99.2 % (119 of 120)
Sidechain	23.3 % (177 of 761)	9.9 % (46 of 467)	47.3 % (131 of 277)	0.0 % (0 of 17)
Aromatic	0.0 % (0 of 94)	0.0 % (0 of 47)	0.0 % (0 of 47)
Methyl	25.0 % (25 of 100)	14.0 % (7 of 50)	36.0 % (18 of 50)

1. bovine pancreatic [C65S,C72S] ribonuclease A

KETAAAKFER QHMDSSTSAA SSSNYCNQMM KSRNLTKDRC KPVNTFVHES LADVQAVCSQ KNVASKNGQT NSYQSYSTMS ITDCRETGSS KYPNCAYKTT QANKHIIVAC EGNPYVPVHF DASV

Show sample condition

Sample #1

Temperature 293 K

#	Name	Isotope labeling	Concentration
1	bovine pancreatic [C65S,C72S] ribonuclease A	[U-15N]	2.7 mM
2	D2O		10 %
3	H2O		90 %
4	NaCl		0.0 mM
5	KCl		0.0 mM

Sample #2

Temperature 293 K

#	Name	Isotope labeling	Concentration
6	bovine pancreatic [C65S,C72S] ribonuclease A	[U-15N;U-13C]	3.0 mM
7	D2O		10 %
8	H2O		90 %

LACS Plot; CA

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

Referencing offset: 0.25 ppm, Outliers: 2 Detail

LACS Plot; CB

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

Referencing offset: 0.25 ppm, Outliers: 2 Detail

LACS Plot; HA

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

Referencing offset: -0.13 ppm, Outliers: 1 Detail

LACS Plot; CO

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

Referencing offset: 0.22 ppm, Outliers: 1 Detail

Release date

1997-06-24

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 [C65S,C72S] ribonuclease A, : 1 : 101 : 140 entities Detail

Interaction partners 1. bovine pancreatic [C65S,C72S] 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	bmr4032_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: bmr4032_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_one	Warning	726		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: 363
  - 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 (1.386 seconds)

BMRB: 4032

Sample #1

Sample #2

Chemical shift reference

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. bovine pancreatic [C65S,C72S] ribonuclease A, : 1 : 101 : 140 entities Detail

Interaction partners 1. bovine pancreatic [C65S,C72S] 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	363	69.1
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	246	99.2
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	117	42.2
¹⁵N chemical shifts	21	0	0.0