BMRBj - BMREntryMaster

Found 1 Document (1.334 seconds)

BMRB: 4010

2SOB

Resonance Assignments for the OB-fold Sub-Domain of Staphylococcal Nuclease (SNOB) -> Nuclease 1-103 (V66L, G88V)

Authors

Alexandrescu, A., Gittis, A., Abeygunawardana, C., Shortle, D.

Assembly

OB-fold sub-domain of staphylococcal nuclease

Entity

1. OB-fold sub-domain of staphylococcal nuclease (polymer), 103 monomers, 11604.40 Da Detail

ATSTKKLHKE PATLIKAIDG DTVKLMYKGQ PMTFRLLLVD TPETKHPKKG VEKYGPEASA FTKKMLENAK KIEVEFDKGQ RTDKYGRVLA YIYADGKMVN EAL

Formula weight

11604.4 Da

Source organism

Staphylococcus aureus

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete1

Sequence coverage: 99.0 %, Completeness: 86.7 %, Completeness (bb): 97.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	86.7 % (654 of 754)	85.0 % (554 of 652)	98.0 % (100 of 102)
Backbone	97.7 % (299 of 306)	97.6 % (203 of 208)	98.0 % (96 of 98)
Sidechain	79.2 % (355 of 448)	79.1 % (351 of 444)	100.0 % (4 of 4)
Aromatic	87.2 % (34 of 39)	87.2 % (34 of 39)
Methyl	94.6 % (53 of 56)	94.6 % (53 of 56)

1. SNOB

ATSTKKLHKE PATLIKAIDG DTVKLMYKGQ PMTFRLLLVD TPETKHPKKG VEKYGPEASA FTKKMLENAK KIEVEFDKGQ RTDKYGRVLA YIYADGKMVN EAL

Show sample condition

Sample

Temperature 305 K, pH 4.7

Chem. Shift Complete2

Sequence coverage: 21.4 %, Completeness: 50.5 %, Completeness (bb): 59.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	50.5 % (761 of 1508)	49.1 % (640 of 1304)	59.3 % (121 of 204)
Backbone	59.3 % (363 of 612)	58.9 % (245 of 416)	60.2 % (118 of 196)
Sidechain	44.5 % (399 of 896)	44.5 % (395 of 888)	50.0 % (4 of 8)
Aromatic	53.8 % (42 of 78)	53.8 % (42 of 78)
Methyl	54.5 % (61 of 112)	54.5 % (61 of 112)

1. SNOB

ATSTKKLHKE PATLIKAIDG DTVKLMYKGQ PMTFRLLLVD TPETKHPKKG VEKYGPEASA FTKKMLENAK KIEVEFDKGQ RTDKYGRVLA YIYADGKMVN EAL

Show sample condition

Sample

Temperature 305 K, pH 4.7

Chem. Shift Complete3

Sequence coverage: 25.2 %, Completeness: 41.6 %, Completeness (bb): 47.2 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	41.6 % (941 of 2262)	40.8 % (798 of 1956)	46.7 % (143 of 306)
Backbone	47.2 % (433 of 918)	47.1 % (294 of 624)	47.3 % (139 of 294)
Sidechain	37.9 % (509 of 1344)	37.8 % (504 of 1332)	41.7 % (5 of 12)
Aromatic	43.6 % (51 of 117)	43.6 % (51 of 117)
Methyl	45.2 % (76 of 168)	45.2 % (76 of 168)

1. SNOB

ATSTKKLHKE PATLIKAIDG DTVKLMYKGQ PMTFRLLLVD TPETKHPKKG VEKYGPEASA FTKKMLENAK KIEVEFDKGQ RTDKYGRVLA YIYADGKMVN EAL

Show sample condition

Sample

Temperature 305 K, pH 4.7

Protein Blocks Logo

Calculated from 10 models in PDB: 2SOB, Strand ID: A Detail

Release date

1998-07-04

Citation

NMR structure of a stable "OB-fold" sub-domain isolated from staphylococcal nuclease
Alexandrescu, A., Gittis, A., Abeygunawardana, C., Shortle, D.
J. Mol. Biol. (1995), 250, 134-143, PubMed 7608966 , DOI 10.1006/jmbi.1995.0365 , Abstract

Related entities 1. OB-fold sub-domain of staphylococcal nuclease, : 1 : 11 : 105 entities Detail

Chemical shift validation 5 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4010_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: bmr4010_3.str

#	Content subtype	Saveframe	Status	# of rows	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts_one	Warning	765	99.0 (chain: 1, length: 103)
2	Assigned chemical shifts	chemical_shift_assignment_set_2_SNOB	Warning	65	9.7 (chain: 1, length: 103)
3	Assigned chemical shifts	chemical_shift_assignment_set_3_SNOB	Warning	22	3.9 (chain: 1, length: 103)
1	Chemical shift references	chemical_shift_reference_one	Warning	1	No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts_one
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 103, Sequence coverage: 99.0%
- Total number of assignments
  - ¹⁵N chemical shifts: 104
  - ¹H chemical shifts: 661
- Completeness of assignments
  - Entity_assemble_ID: 1
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
Saveframe: chemical_shift_assignment_set_2_SNOB
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 103, Sequence coverage: 9.7%
- Total number of assignments
  - ¹⁵N chemical shifts: 10
  - ¹H chemical shifts: 55
- Completeness of assignments
- Histogram of normalized assigned chemical shifts
- Random coil index and derived parameters (S² and NMR RMSD)
  - Chain_ID: 1
Saveframe: chemical_shift_assignment_set_3_SNOB
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 103, Sequence coverage: 3.9%
- Total number of assignments
  - ¹⁵N chemical shifts: 5
  - ¹H chemical shifts: 17
- Completeness of assignments
- 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 (%)
¹⁵N chemical shifts	105	104	99.0
¹H chemical shifts	652	555	85.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	98	97	99.0
¹H chemical shifts	208	205	98.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹⁵N chemical shifts	7	7	100.0
¹H chemical shifts	444	350	78.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	60	53	88.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	39	34	87.2

Keywords evolution, NMR, OB-fold, protein folding, protein structure, SNOB, OB-fold sub-domain of staphylococcal nuclease

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Found 1 Document (1.334 seconds)

BMRB: 4010

Sample

Sample

Sample

Related entities 1. OB-fold sub-domain of staphylococcal nuclease, : 1 : 11 : 105 entities Detail

Chemical shift validation 5 contents Detail