BMRBj - BMREntryMaster

Found 1 Document (1.838 seconds)

BMRB: 4251

Triple Resonance Assignment for Abl SH(32) and One in the Complex with a Consolidated Ligand

Authors

Xu, R., Cahill, S., Cowburn, D.

Assembly

Src homology domain 3 and 2

Entity

1. Src homology domain 3 and 2 (polymer), 166 monomers, 18296.00 Da Detail

GSPGGSLFVA LYDFVASGDN TLSITKGEKL RVLGYNHNGE WAEAQTKNGQ GWVPSNYITP VNSLEKHSWY HGPVSRNAAE YLLSSGINGS FLVRESESSP GQRSISLRYE GRVYHYRINT ASDGKLYVSS ESRFNTLAEL VHHHSTVADG LITTLHYPAP KRGIRD

Formula weight

18296.0 Da

Source organism

Homo sapiens

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 98.8 %, Completeness: 72.3 %, Completeness (bb): 78.0 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	72.3 % (1357 of 1876)	79.2 % (766 of 967)	60.9 % (447 of 734)	82.3 % (144 of 175)
Backbone	78.0 % (766 of 982)	90.1 % (308 of 342)	65.3 % (314 of 481)	90.6 % (144 of 159)
Sidechain	70.5 % (735 of 1043)	73.3 % (458 of 625)	68.9 % (277 of 402)	0.0 % (0 of 16)
Aromatic	1.1 % (2 of 188)	0.0 % (0 of 94)	2.2 % (2 of 91)	0.0 % (0 of 3)
Methyl	91.8 % (156 of 170)	92.9 % (79 of 85)	90.6 % (77 of 85)

1. Src homology domain 3 and 2

GSPGGSLFVA LYDFVASGDN TLSITKGEKL RVLGYNHNGE WAEAQTKNGQ GWVPSNYITP VNSLEKHSWY HGPVSRNAAE YLLSSGINGS FLVRESESSP GQRSISLRYE GRVYHYRINT ASDGKLYVSS ESRFNTLAEL VHHHSTVADG LITTLHYPAP KRGIRD

Show sample condition

Sample

Temperature 308 (±0.1) K, pH 7.2 (±0.5)

#	Name	Isotope labeling	Type	Concentration
1	Src homology domain 3 and 2			0.8 mM

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	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.02 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	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.02 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	direct	1.0
¹⁵N	DSS	methyl protons	null	indirect	0.1013291

Referencing offset: 0.0 ppm, Outliers: 1 Detail

Release date

1998-10-18

Citation 1

Triple resonance-based assignment for Abl SH(32) and its complex with a consolidated ligand
Xu, R., Cahill, S., Cowburn, D.
J. Biomol. NMR (1999), 14, 187-188, PubMed 10427746

Show more 1 citaion

Citation 2

No title is available
Wishart, D.

Hide non-primary 1 citaion

Related entities 1. Src homology domain 3 and 2, : 5 : 243 entities Detail

Interaction partners 1. Src homology domain 3 and 2, : 18 interactors Detail

More details for 18 interactors identified by 13 citations

Experiments performed 1 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr4251_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: bmr4251_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	assigned_chemical_shifts	Warning	1536		98.8 (chain: 1, length: 166)
1	Chemical shift references	chemical_shift_reference_one	OK	3		No information

Assigned chemical shifts

Saveframe: assigned_chemical_shifts
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 166, Sequence coverage: 98.8%
- Total number of assignments
  - ¹³C chemical shifts: 443
  - ¹⁵N chemical shifts: 148
  - ¹H chemical shifts: 945
- Completeness of assignments
  - Entity_assemble_ID: 1
- 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	734	443	60.4
¹⁵N chemical shifts	185	148	80.0
¹H chemical shifts	967	781	80.8

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	332	163	49.1
¹⁵N chemical shifts	159	148	93.1
¹H chemical shifts	342	315	92.1

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	402	280	69.7
¹⁵N chemical shifts	26	0	0.0
¹H chemical shifts	625	466	74.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	85	78	91.8
¹H chemical shifts	85	82	96.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹³C chemical shifts	91	0	0.0
¹⁵N chemical shifts	3	0	0.0
¹H chemical shifts	94	0	0.0

Keywords Abl_SH(32), NMR_assignment, consolidated_ligand

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Found 1 Document (1.838 seconds)

BMRB: 4251

Sample

Chemical shift reference

Chemical shift reference

Chemical shift reference

Related entities 1. Src homology domain 3 and 2, : 5 : 243 entities Detail

Interaction partners 1. Src homology domain 3 and 2, : 18 interactors Detail

Experiments performed 1 experiments Detail

Sample

Chemical shift validation 3 contents Detail