BMRBj - BMREntryMaster

Found 1 Document (1.5 seconds)

BMRB: 5132

1H and 15N assignments of ATTm+4, a truncated version of ATT, an trypsin/chymotrypsin inhibitor from Arabidopsis thaliana

Authors

Zhao, Q., Chae, Y., Markley, J.L.

Assembly

attm+4

Entity

1. attm+4 (polymer, Thiol state: all disulfide bound), 66 monomers, 7338.265 Da Detail

YVEFQGNECL KEYGGDVGFG FCAPRIFPTI CYTRCRENKG AKGGRCRWGQ GSNVKCLCDF CGDTPQ

Formula weight

7338.265 Da

Entity Connection

disulfide 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS9:SG	1:CYS61:SG
2	disulfide	sing	1:CYS22:SG	1:CYS46:SG
3	disulfide	sing	1:CYS31:SG	1:CYS56:SG
4	disulfide	sing	1:CYS35:SG	1:CYS58:SG

Source organism

Arabidopsis thaliana

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 87.9 %, Completeness: 57.5 %, Completeness (bb): 87.7 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹⁵N
All	57.5 % (266 of 463)	53.4 % (210 of 393)	80.0 % (56 of 70)
Backbone	87.7 % (178 of 203)	87.1 % (122 of 140)	88.9 % (56 of 63)
Sidechain	33.8 % (88 of 260)	34.8 % (88 of 253)	0.0 % (0 of 7)
Aromatic	0.0 % (0 of 44)	0.0 % (0 of 43)	0.0 % (0 of 1)
Methyl	42.1 % (8 of 19)	42.1 % (8 of 19)

1. attm+4

YVEFQGNECL KEYGGDVGFG FCAPRIFPTI CYTRCRENKG AKGGRCRWGQ GSNVKCLCDF CGDTPQ

Show sample condition

Sample

Temperature 298 (±0.5) K, pH 5.0 (±0.2)

#	Name	Isotope labeling	Concentration
1	attm+4	[U-15N]	1 mM
2	sodium acetate	[U-2H]	50 mM
3	DSS		0.1 mM

Release date

2001-09-05

Citation

NMR solution structure of ATTp, an Arabidopsis thaliana trypsin inhibitor
Zhao, Q., Chae, Y., Markley, J.L.
Biochemistry (2002), 41, 12284-12296, PubMed 12369816 , DOI: , Abstract

Entries sharing articles BMRB: 2, Swiss-Prot: 1 entries Detail

  BMRB: 5133 released on 2003-06-09
    Title 1H, 13C and 15N assignments of ATTm, a truncated version of ATT, an trypsin/chymotrypsin inhibitor from Arabidopsis thaliana
  BMRB: 5056 released on 2001-06-12
    Title ATT an Arabidopsis thaliana Inhibitor of Trypsin and Chymotrypsin: Sequence-Specific Multinuclear Magnetic Resonance Assignments and Secondary Structure
  Swiss-Prot: Q42328 released on 1998-07-15
    Title DF195_ARATH Entity Defensin-like protein 195

Related entities 1. attm+4, : 15 entities Detail

Interaction partners 1. attm+4, : 7 interactors Detail

More details for 7 interactors identified by 1 citations

Experiments performed 3 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5132_3.str
Diamagnetism of the molecular assembly	True (excluding Oxygen atoms)
Whether the assembly has a disulfide bond	True (see coordinates for details)
Whether the assembly has a other bond	None
Whether the assembly contains a cyclic polymer	None
Overall data processing status	Warning

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:9:CYS:SG	1:61:CYS:SG	unknown	unknown	n/a
1:22:CYS:SG	1:46:CYS:SG	unknown	unknown	n/a
1:31:CYS:SG	1:56:CYS:SG	unknown	unknown	n/a
1:35:CYS:SG	1:58:CYS:SG	unknown	unknown	n/a

Other bonds (neither disulfide, covalent nor hydrogen bonds, e.g. Zinc–sulphur bond)

None

Non-standard residues

None

Content subtype: bmr5132_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_attm+4	Warning	274		86.4 (chain: 1, length: 66)
1	Chemical shift references	chemical_shift_ref	OK	2		No information

Assigned chemical shifts

Saveframe: shift_attm+4
- Status: Warning
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 66, Sequence coverage: 86.4%
- Total number of assignments
  - ¹H chemical shifts: 219
  - ¹⁵N chemical shifts: 55
- 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

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	393	207	52.7
¹⁵N chemical shifts	75	55	73.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	140	121	86.4
¹⁵N chemical shifts	63	55	87.3

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	253	86	34.0
¹⁵N chemical shifts	12	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	19	6	31.6

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	43	0	0.0
¹⁵N chemical shifts	1	0	0.0

Keywords ATT, arabidopsis, trypsin inhibitor

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Found 1 Document (1.5 seconds)

BMRB: 5132

Sample

Entries sharing articles BMRB: 2, Swiss-Prot: 1 entries Detail

Related entities 1. attm+4, : 15 entities Detail

Interaction partners 1. attm+4, : 7 interactors Detail

Experiments performed 3 experiments Detail

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Sample

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail