BMRBj - BMREntryMaster

Found 1 Document (1.661 seconds)

BMRB: 5133

1JXC

1H, 13C and 15N assignments of ATTm, a truncated version of ATT, an trypsin/chymotrypsin inhibitor from Arabidopsis thaliana

Authors

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

Assembly

system attm

Entity

1. system attm (polymer, Thiol state: all disulfide bound), 62 monomers, 6799.673 Da Detail

QGNECLKEYG GDVGFGFCAP RIFPTICYTR CRENKGAKGG RCRWGQGSNV KCLCDFCGDT PQ

Formula weight

6799.673 Da

Entity Connection

disulfide 4 Detail

ID	Type	Value order	Atom ID 1	Atom ID 2
1	disulfide	sing	1:CYS5:SG	1:CYS57:SG
2	disulfide	sing	1:CYS18:SG	1:CYS42:SG
3	disulfide	sing	1:CYS27:SG	1:CYS52:SG
4	disulfide	sing	1:CYS31:SG	1:CYS54:SG

Source organism

Arabidopsis thaliana

Exptl. method

NMR

Data set

assigned_chemical_shifts

Chem. Shift Complete

Sequence coverage: 91.9 %, Completeness: 25.0 %, Completeness (bb): 47.3 % Detail

Polymer type: polypeptide(L)

	Total	¹H	¹³C	¹⁵N
All	25.0 % (173 of 692)	15.6 % (57 of 365)	22.6 % (59 of 261)	86.4 % (57 of 66)
Backbone	47.3 % (173 of 366)	43.2 % (57 of 132)	33.7 % (59 of 175)	96.6 % (57 of 59)
Sidechain	0.3 % (1 of 377)	0.0 % (0 of 233)	0.7 % (1 of 137)	0.0 % (0 of 7)
Aromatic	0.0 % (0 of 68)	0.0 % (0 of 34)	0.0 % (0 of 33)	0.0 % (0 of 1)
Methyl	0.0 % (0 of 34)	0.0 % (0 of 17)	0.0 % (0 of 17)

1. attm

QGNECLKEYG GDVGFGFCAP RIFPTICYTR CRENKGAKGG RCRWGQGSNV KCLCDFCGDT PQ

Show sample condition

Sample

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

#	Name	Isotope labeling	Concentration
1	attm	[U-15N; U-13C]	1 mM
2	sodium acetate	[U-2H]	50 mM
3	DSS		0.1 mM

Release date

2003-06-09

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

Related entities 1. system attm, : 1 : 2 : 13 entities Detail

Interaction partners 1. system attm, : 7 interactors Detail

More details for 7 interactors identified by 1 citations

Experiments performed 2 experiments Detail

Chemical shift validation 3 contents Detail

Properties

Input source #1: Assigned chemical shifts - Assigned chemical shifts	bmr5133_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	OK

Disulfide bonds

Ptnr_site_1	Ptnr_site_2	Redox_state_prediction_1	Redox_state_prediction_2	Distance (Å)
1:5:CYS:SG	1:57:CYS:SG	unknown	unknown	n/a
1:18:CYS:SG	1:42:CYS:SG	unknown	unknown	n/a
1:27:CYS:SG	1:52:CYS:SG	unknown	unknown	n/a
1:31:CYS:SG	1:54: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: bmr5133_3.str

#	Content subtype	Saveframe	Status	# of rows	Experiment type	Sequence coverage (%)
1	Assigned chemical shifts	shift_attm	OK	170		91.9 (chain: 1, length: 62)
1	Chemical shift references	chemical_shift_ref	OK	3		No information

Assigned chemical shifts

Saveframe: shift_attm
- Status: OK
- Sequence coverage of experimental data
  - Entity_assembly_ID: 1, Chain length: 62, Sequence coverage: 91.9%
- Total number of assignments
  - ¹H chemical shifts: 57
  - ¹⁵N chemical shifts: 57
  - ¹³C chemical shifts: 56
- 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	365	57	15.6
¹⁵N chemical shifts	71	57	80.3
¹³C chemical shifts	261	56	21.5

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	132	57	43.2
¹⁵N chemical shifts	59	57	96.6
¹³C chemical shifts	124	56	45.2

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	233	0	0.0
¹⁵N chemical shifts	12	0	0.0
¹³C chemical shifts	137	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	17	0	0.0
¹³C chemical shifts	17	0	0.0

Atom group	# of target shifts	# of assigned shifts	Completeness (%)
¹H chemical shifts	34	0	0.0
¹⁵N chemical shifts	1	0	0.0
¹³C chemical shifts	33	0	0.0

Keywords ATT, trypsin inhibitor, arabidopsis

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Found 1 Document (1.661 seconds)

BMRB: 5133

Sample

Related entities 1. system attm, : 1 : 2 : 13 entities Detail

Interaction partners 1. system attm, : 7 interactors Detail

Experiments performed 2 experiments Detail

Instrument

Sample

Instrument

Sample

Chemical shift validation 3 contents Detail